[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C90H55ClF15N21O6 — CID 160591902

IUPAC[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cccc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4ccc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.O=[N+]([O-])Oc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C23H14F5N5O.2C23H15F4N5O.C21H11ClF2N6O3/c1-34-17-8-4-6-13-19(17)29-20(12-5-2-3-7-15(12)23(26,27)28)30-21(13)31-22-14-9-11(24)10-16(25)18(14)32-33-22;1-33-17-11-5-8-14-19(17)28-20(12-6-2-3-9-15(12)23(25,26)27)29-21(14)30-22-13-7-4-10-16(24)18(13)31-32-22;1-33-18-8-4-6-14-19(18)28-20(13-5-2-3-7-16(13)23(25,26)27)29-21(14)30-22-15-11-12(24)9-10-17(15)31-32-22;22-15-9-11(33-30(31)32)5-6-12(15)19-25-17-4-2-1-3-13(17)20(26-19)27-21-14-7-10(23)8-16(24)18(14)28-29-21/h2-10H,1H3,(H2,29,30,31,32,33);2*2-11H,1H3,(H2,28,29,30,31,32);1-9H,(H2,25,26,27,28,29)
InChIKeyRDDDWEHRDHSWFW-UHFFFAOYSA-N
MW1846.99 g/mol
LogP23.81
Rot. Bonds17

About [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 160591902) has the molecular formula C90H55ClF15N21O6 and a molecular weight of 1846.99 g/mol. Its IUPAC name is [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID160591902
Molecular FormulaC90H55ClF15N21O6
Molecular Weight1846.99 g/mol
Exact Mass1845.41
IUPAC Name[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOc1cccc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4ccc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.O=[N+]([O-])Oc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C23H14F5N5O.2C23H15F4N5O.C21H11ClF2N6O3/c1-34-17-8-4-6-13-19(17)29-20(12-5-2-3-7-15(12)23(26,27)28)30-21(13)31-22-14-9-11(24)10-16(25)18(14)32-33-22;1-33-17-11-5-8-14-19(17)28-20(12-6-2-3-9-15(12)23(25,26)27)29-21(14)30-22-13-7-4-10-16(24)18(13)31-32-22;1-33-18-8-4-6-14-19(18)28-20(13-5-2-3-7-16(13)23(25,26)27)29-21(14)30-22-15-11-12(24)9-10-17(15)31-32-22;22-15-9-11(33-30(31)32)5-6-12(15)19-25-17-4-2-1-3-13(17)20(26-19)27-21-14-7-10(23)8-16(24)18(14)28-29-21/h2-10H,1H3,(H2,29,30,31,32,33);2*2-11H,1H3,(H2,28,29,30,31,32);1-9H,(H2,25,26,27,28,29)
InChIKeyRDDDWEHRDHSWFW-UHFFFAOYSA-N
XLogP23.81
TPSA346.02 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.99
LogP ≤ 523.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-chlorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine
CID 160278025
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2,4-dichlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(4-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 162252800
4-N-(4-chlorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
CID 157744998
2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(2,4-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(2,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(2-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 160114604
2-(4-chloronaphthalen-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]benzonitrile;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]-5-methoxybenzonitrile;N-(1H-indazol-3-yl)-2-(2-nitrophenyl)quinazolin-4-amine
CID 160341304

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 160591902) is [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COc1cccc2c(Nc3n[nH]c4c(F)cc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc12.COc1cccc2c(Nc3n[nH]c4ccc(F)cc34)nc(-c3ccccc3C(F)(F)F)nc12.O=[N+]([O-])Oc1ccc(-c2nc(Nc3n[nH]c4c(F)cc(F)cc34)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is RDDDWEHRDHSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N5O.2C23H15F4N5O.C21H11ClF2N6O3/c1-34-17-8-4-6-13-19(17)29-20(12-5-2-3-7-15(12)23(26,27)28)30-21(13)31-22-14-9-11(24)10-16(25)18(14)32-33-22;1-33-17-11-5-8-14-19(17)28-20(12-6-2-3-9-15(12)23(25,26)27)29-21(14)30-22-13-7-4-10-16(24)18(13)31-32-22;1-33-18-8-4-6-14-19(18)28-20(13-5-2-3-7-16(13)23(25,26)27)29-21(14)30-22-15-11-12(24)9-10-17(15)31-32-22;22-15-9-11(33-30(31)32)5-6-12(15)19-25-17-4-2-1-3-13(17)20(26-19)27-21-14-7-10(23)8-16(24)18(14)28-29-21/h2-10H,1H3,(H2,29,30,31,32,33);2*2-11H,1H3,(H2,28,29,30,31,32);1-9H,(H2,25,26,27,28,29).
What are the key properties of [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
[3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1846.99 g/mol, XLogP of 23.81, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenyl] nitrate;N-(5,7-difluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 160591902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).