N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine

C24H22N4O3 — CID 22030706

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCc1ccco1
InChIInChI=1S/C24H22N4O3/c1-14-15(2)27-20-7-6-16(9-18(14)20)28-24-19-10-22(29-3)23(11-21(19)25-13-26-24)31-12-17-5-4-8-30-17/h4-11,13,27H,12H2,1-3H3,(H,25,26,28)
InChIKeyYITAFYXGPMUAOX-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.65
Rot. Bonds6

About N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine

N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine (PubChem CID 22030706) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine
PubChem CID22030706
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCc1ccco1
InChIInChI=1S/C24H22N4O3/c1-14-15(2)27-20-7-6-16(9-18(14)20)28-24-19-10-22(29-3)23(11-21(19)25-13-26-24)31-12-17-5-4-8-30-17/h4-11,13,27H,12H2,1-3H3,(H,25,26,28)
InChIKeyYITAFYXGPMUAOX-UHFFFAOYSA-N
XLogP5.65
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730150
N-(2,3-dimethyl-1H-indol-5-yl)-6-methoxy-7-[(E)-4-pyrrolidin-1-ylbut-2-enoxy]quinazolin-4-amine
CID 22030964
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
ethyl 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 68672933
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine (CID 22030706) is N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine is COc1cc2c(Nc3ccc4[nH]c(C)c(C)c4c3)ncnc2cc1OCc1ccco1.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine?
The InChIKey is YITAFYXGPMUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-15(2)27-20-7-6-16(9-18(14)20)28-24-19-10-22(29-3)23(11-21(19)25-13-26-24)31-12-17-5-4-8-30-17/h4-11,13,27H,12H2,1-3H3,(H,25,26,28).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine?
N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-5-yl)-7-(furan-2-ylmethoxy)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 22030706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).