4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine

C24H22N6O2 — CID 59066353

IUPAC4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C24H22N6O2/c1-14-4-6-16(7-5-14)27-24-28-20-12-22(32-3)21(31-2)11-18(20)23(29-24)26-17-8-9-19-15(10-17)13-25-30-19/h4-13H,1-3H3,(H,25,30)(H2,26,27,28,29)
InChIKeyPHLXEKMMYQITDF-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.32
Rot. Bonds6

About 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine

4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 59066353) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID59066353
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC
InChIInChI=1S/C24H22N6O2/c1-14-4-6-16(7-5-14)27-24-28-20-12-22(32-3)21(31-2)11-18(20)23(29-24)26-17-8-9-19-15(10-17)13-25-30-19/h4-13H,1-3H3,(H,25,30)(H2,26,27,28,29)
InChIKeyPHLXEKMMYQITDF-UHFFFAOYSA-N
XLogP5.32
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
N-(3-fluorophenyl)-4-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-2-amine
CID 68703140
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;1H-indazole
CID 142172422
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
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
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-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 25013868
N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
CID 10154992
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-phenylquinazoline-2,4-diamine
CID 117091404
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 59066353) is 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine is COc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is PHLXEKMMYQITDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-4-6-16(7-5-14)27-24-28-20-12-22(32-3)21(31-2)11-18(20)23(29-24)26-17-8-9-19-15(10-17)13-25-30-19/h4-13H,1-3H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 426.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 59066353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).