4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C62H68Cl2N10 — CID 161270117

IUPAC4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)cccc34)nc12
InChIInChI=1S/C33H38ClN5.C29H30ClN5/c1-5-38(6-2)20-12-14-24(4)35-32-27-18-10-13-23(3)30(27)36-33(37-32)28-22-39(21-25-15-8-7-9-16-25)31-26(28)17-11-19-29(31)34;1-20-10-7-14-23-26(20)32-29(33-28(23)31-16-9-17-34(2)3)24-19-35(18-21-11-5-4-6-12-21)27-22(24)13-8-15-25(27)30/h7-11,13,15-19,22,24H,5-6,12,14,20-21H2,1-4H3,(H,35,36,37);4-8,10-15,19H,9,16-18H2,1-3H3,(H,31,32,33)
InChIKeyVDRVHLTVFJURRB-UHFFFAOYSA-N
MW1024.20 g/mol
LogP14.81
Rot. Bonds19

About 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 161270117) has the molecular formula C62H68Cl2N10 and a molecular weight of 1024.20 g/mol. Its IUPAC name is 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID161270117
Molecular FormulaC62H68Cl2N10
Molecular Weight1024.20 g/mol
Exact Mass1022.50
IUPAC Name4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)cccc34)nc12
InChIInChI=1S/C33H38ClN5.C29H30ClN5/c1-5-38(6-2)20-12-14-24(4)35-32-27-18-10-13-23(3)30(27)36-33(37-32)28-22-39(21-25-15-8-7-9-16-25)31-26(28)17-11-19-29(31)34;1-20-10-7-14-23-26(20)32-29(33-28(23)31-16-9-17-34(2)3)24-19-35(18-21-11-5-4-6-12-21)27-22(24)13-8-15-25(27)30/h7-11,13,15-19,22,24H,5-6,12,14,20-21H2,1-4H3,(H,35,36,37);4-8,10-15,19H,9,16-18H2,1-3H3,(H,31,32,33)
InChIKeyVDRVHLTVFJURRB-UHFFFAOYSA-N
XLogP14.81
TPSA91.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.20
LogP ≤ 514.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

Bms-279700
CID 9844320
N-(2-chloro-6-methylphenyl)-12-imidazol-1-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9799792
12-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-chloro-6-methylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11315381
12-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-chloro-6-methylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11372809
N-(2-chloro-6-methylphenyl)-12-[(3R)-3-methylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11384258
5-chloro-N4-((S)-1-(8-chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)pyrimidine-2,4-diamine
CID 24944522
N-(2-chloro-6-methylphenyl)-12-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11418777
4-N-[1-[(3-chlorophenyl)methyl]indol-5-yl]quinazoline-4,6-diamine
CID 162142925
6-[2-[3-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)phenyl]ethyl]-N-methylquinolin-2-amine
CID 166039029
8-(3,5-Dichlorophenyl)-2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinoline
CID 168279487
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-6-methylindolo[2,3-b]quinolin-11-amine
CID 70684228
N-[(1R)-1-(3-chlorophenyl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-amine
CID 175604598

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 161270117) is 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12.Cc1cccc2c(NCCCN(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)cccc34)nc12.
What is the InChIKey of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VDRVHLTVFJURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5.C29H30ClN5/c1-5-38(6-2)20-12-14-24(4)35-32-27-18-10-13-23(3)30(27)36-33(37-32)28-22-39(21-25-15-8-7-9-16-25)31-26(28)17-11-19-29(31)34;1-20-10-7-14-23-26(20)32-29(33-28(23)31-16-9-17-34(2)3)24-19-35(18-21-11-5-4-6-12-21)27-22(24)13-8-15-25(27)30/h7-11,13,15-19,22,24H,5-6,12,14,20-21H2,1-4H3,(H,35,36,37);4-8,10-15,19H,9,16-18H2,1-3H3,(H,31,32,33).
What are the key properties of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 1024.20 g/mol, XLogP of 14.81, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;N-[2-(1-benzyl-7-chloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 161270117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).