2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine

C35H31ClN10 — CID 160994357

IUPAC2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine
SMILESCc1cc2nc(Cl)nc(Nc3ccc4[nH]ncc4c3)c2cc1C.Cc1nc(Nc2ccc3[nH]ncc3c2)c2cc(C)c(C)cc2n1
InChIInChI=1S/C18H17N5.C17H14ClN5/c1-10-6-15-17(7-11(10)2)20-12(3)21-18(15)22-14-4-5-16-13(8-14)9-19-23-16;1-9-5-13-15(6-10(9)2)21-17(18)22-16(13)20-12-3-4-14-11(7-12)8-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22);3-8H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyTVAYFGUVSMUSFK-UHFFFAOYSA-N
MW627.16 g/mol
LogP8.69
Rot. Bonds4

About 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine

2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine (PubChem CID 160994357) has the molecular formula C35H31ClN10 and a molecular weight of 627.16 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine
PubChem CID160994357
Molecular FormulaC35H31ClN10
Molecular Weight627.16 g/mol
Exact Mass626.24
IUPAC Name2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine
SMILESCc1cc2nc(Cl)nc(Nc3ccc4[nH]ncc4c3)c2cc1C.Cc1nc(Nc2ccc3[nH]ncc3c2)c2cc(C)c(C)cc2n1
InChIInChI=1S/C18H17N5.C17H14ClN5/c1-10-6-15-17(7-11(10)2)20-12(3)21-18(15)22-14-4-5-16-13(8-14)9-19-23-16;1-9-5-13-15(6-10(9)2)21-17(18)22-16(13)20-12-3-4-14-11(7-12)8-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22);3-8H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyTVAYFGUVSMUSFK-UHFFFAOYSA-N
XLogP8.69
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.16
LogP ≤ 58.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-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

N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 170994334
N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
CID 10154992
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-N-(1H-indazol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366736
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine (CID 160994357) is 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine is Cc1cc2nc(Cl)nc(Nc3ccc4[nH]ncc4c3)c2cc1C.Cc1nc(Nc2ccc3[nH]ncc3c2)c2cc(C)c(C)cc2n1.
What is the InChIKey of 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine?
The InChIKey is TVAYFGUVSMUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5.C17H14ClN5/c1-10-6-15-17(7-11(10)2)20-12(3)21-18(15)22-14-4-5-16-13(8-14)9-19-23-16;1-9-5-13-15(6-10(9)2)21-17(18)22-16(13)20-12-3-4-14-11(7-12)8-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22);3-8H,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine?
2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine has a molecular weight of 627.16 g/mol, XLogP of 8.69, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine is sourced from PubChem (CID 160994357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).