N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine

C81H86BrCl2F6N13 — CID 158732989

IUPACN-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine
SMILESCC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.CC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)c(Cl)ccc34)nc12
InChIInChI=1S/C29H29Cl2N5.C29H31F3N4.C23H26BrF3N4/c1-19-9-7-12-22-26(19)33-29(34-28(22)32-15-8-16-35(2)3)23-18-36(17-20-10-5-4-6-11-20)27-21(23)13-14-24(30)25(27)31;1-19(2)24-12-8-13-25-26(24)34-27(35-28(25)33-14-9-15-36(3)4)22-16-21(20-10-6-5-7-11-20)17-23(18-22)29(30,31)32;1-14(2)18-7-5-8-19-20(18)29-21(30-22(19)28-9-6-10-31(3)4)15-11-16(23(25,26)27)13-17(24)12-15/h4-7,9-14,18H,8,15-17H2,1-3H3,(H,32,33,34);5-8,10-13,16-19H,9,14-15H2,1-4H3,(H,33,34,35);5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30)
InChIKeyILIGDDFUMPSAKM-UHFFFAOYSA-N
MW1506.47 g/mol
LogP21.31
Rot. Bonds23

About N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine

N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine (PubChem CID 158732989) has the molecular formula C81H86BrCl2F6N13 and a molecular weight of 1506.47 g/mol. Its IUPAC name is N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine
PubChem CID158732989
Molecular FormulaC81H86BrCl2F6N13
Molecular Weight1506.47 g/mol
Exact Mass1503.56
IUPAC NameN-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine
SMILESCC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.CC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)c(Cl)ccc34)nc12
InChIInChI=1S/C29H29Cl2N5.C29H31F3N4.C23H26BrF3N4/c1-19-9-7-12-22-26(19)33-29(34-28(22)32-15-8-16-35(2)3)23-18-36(17-20-10-5-4-6-11-20)27-21(23)13-14-24(30)25(27)31;1-19(2)24-12-8-13-25-26(24)34-27(35-28(25)33-14-9-15-36(3)4)22-16-21(20-10-6-5-7-11-20)17-23(18-22)29(30,31)32;1-14(2)18-7-5-8-19-20(18)29-21(30-22(19)28-9-6-10-31(3)4)15-11-16(23(25,26)27)13-17(24)12-15/h4-7,9-14,18H,8,15-17H2,1-3H3,(H,32,33,34);5-8,10-13,16-19H,9,14-15H2,1-4H3,(H,33,34,35);5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30)
InChIKeyILIGDDFUMPSAKM-UHFFFAOYSA-N
XLogP21.31
TPSA128.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.47
LogP ≤ 521.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine with MolForge

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Related Compounds

N-[8-bromo-2-[3-bromo-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 145099357
N-(3-bromophenyl)-7,8-dichloro-1-[3-[(7,8-dichloro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-methylamino]-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156556934
2-(1-benzyl-7-chloroindol-3-yl)-8-methyl-N-octan-2-ylquinazolin-4-amine;2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-N-(3-piperazin-1-ylpropyl)quinazolin-4-amine;tert-butyl N-(4-aminopentyl)-N-ethylcarbamate;tert-butyl N-(3-aminopropyl)-N-methylcarbamate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;N'-[2-[7-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-N-methylpropane-1,3-diamine;N-methyl-N'-[8-methyl-2-[3-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 158926207
4-N-[2-[7-chloro-1-[(3-chlorophenyl)methyl]indol-3-yl]-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]pentane-1,4-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 158985532
N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;methane
CID 159264220
N-[8-bromo-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 159851678
N-[2-[2-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[4-bromo-3-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-[3-(3-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(3,4-dichlorophenyl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-(trifluoromethyl)quinazolin-4-yl]propane-1,3-diamine;N'-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine
CID 160288005
5-bromo-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1H-indene;N-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;3-(3,4-dichlorophenyl)-6-methyl-1H-isoindole;N-[2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-(trifluoromethyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 160318186
N-[2-(1-benzyl-5-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-(1-benzyl-6-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 160949636
N-[8-bromo-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[8-chloro-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 161002433
4-N-[2-(1-benzyl-7-chloroindol-3-yl)-7-chloroquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-7-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;1-N,1-N-diethyl-4-N-[2-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;1-N,1-N-diethyl-4-N-[2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]pentane-1,4-diamine;N-[2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 161611621
N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine;N-[8-chloro-2-[3-(2-chlorophenyl)phenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[8-chloro-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine
CID 161659488

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine (CID 158732989) is N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine is CC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.CC(C)c1cccc2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)c(Cl)ccc34)nc12.
What is the InChIKey of N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine?
The InChIKey is ILIGDDFUMPSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N5.C29H31F3N4.C23H26BrF3N4/c1-19-9-7-12-22-26(19)33-29(34-28(22)32-15-8-16-35(2)3)23-18-36(17-20-10-5-4-6-11-20)27-21(23)13-14-24(30)25(27)31;1-19(2)24-12-8-13-25-26(24)34-27(35-28(25)33-14-9-15-36(3)4)22-16-21(20-10-6-5-7-11-20)17-23(18-22)29(30,31)32;1-14(2)18-7-5-8-19-20(18)29-21(30-22(19)28-9-6-10-31(3)4)15-11-16(23(25,26)27)13-17(24)12-15/h4-7,9-14,18H,8,15-17H2,1-3H3,(H,32,33,34);5-8,10-13,16-19H,9,14-15H2,1-4H3,(H,33,34,35);5,7-8,11-14H,6,9-10H2,1-4H3,(H,28,29,30).
What are the key properties of N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine?
N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine has a molecular weight of 1506.47 g/mol, XLogP of 21.31, 23 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N',N'-dimethyl-N-[2-[3-phenyl-5-(trifluoromethyl)phenyl]-8-propan-2-ylquinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 158732989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).