N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine

C18H17N5O2 — CID 58664274

IUPACN-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C18H17N5O2/c1-10-20-15-8-17(25-3)16(24-2)7-13(15)18(21-10)22-12-4-5-14-11(6-12)9-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyZBKLYWKQZQAKCL-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.58
Rot. Bonds4

About N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine

N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 58664274) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID58664274
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C18H17N5O2/c1-10-20-15-8-17(25-3)16(24-2)7-13(15)18(21-10)22-12-4-5-14-11(6-12)9-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyZBKLYWKQZQAKCL-UHFFFAOYSA-N
XLogP3.58
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
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
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
CID 135336805
6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 25013868
N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine
CID 68703140
N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
CID 10154992
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
CID 142172422
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 58664274) is N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is ZBKLYWKQZQAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-20-15-8-17(25-3)16(24-2)7-13(15)18(21-10)22-12-4-5-14-11(6-12)9-19-23-14/h4-9H,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 58664274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).