4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline

C18H17N3O — CID 71542985

IUPAC4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline
SMILESCOc1ccc2c(c1)CCN2c1nc(C)nc2ccccc12
InChIInChI=1S/C18H17N3O/c1-12-19-16-6-4-3-5-15(16)18(20-12)21-10-9-13-11-14(22-2)7-8-17(13)21/h3-8,11H,9-10H2,1-2H3
InChIKeyOLMBZMJEZLDGND-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.64
Rot. Bonds2

About 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline

4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline (PubChem CID 71542985) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline.

Molecular Properties

Compound Name4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline
PubChem CID71542985
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline
SMILESCOc1ccc2c(c1)CCN2c1nc(C)nc2ccccc12
InChIInChI=1S/C18H17N3O/c1-12-19-16-6-4-3-5-15(16)18(20-12)21-10-9-13-11-14(22-2)7-8-17(13)21/h3-8,11H,9-10H2,1-2H3
InChIKeyOLMBZMJEZLDGND-UHFFFAOYSA-N
XLogP3.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Metralindole
CID 68713
Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2H-Pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride
CID 3080187
Metralindole monohydrochloride
CID 171296
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline?
The IUPAC name of 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline (CID 71542985) is 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline.
What is the SMILES notation for 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline?
The canonical SMILES for 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline is COc1ccc2c(c1)CCN2c1nc(C)nc2ccccc12.
What is the InChIKey of 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline?
The InChIKey is OLMBZMJEZLDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-19-16-6-4-3-5-15(16)18(20-12)21-10-9-13-11-14(22-2)7-8-17(13)21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline?
4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline has a molecular weight of 291.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline is sourced from PubChem (CID 71542985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).