(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one

C19H21N3O — CID 27261997

IUPAC(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2c3ccccc3C[C@H]2C)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C19H21N3O/c1-11-8-15-18(17(23)9-11)13(3)20-19(21-15)22-12(2)10-14-6-4-5-7-16(14)22/h4-7,11-12H,8-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyZNIOSOQIIPNHPD-NWDGAFQWSA-N
MW307.40 g/mol
LogP3.63
Rot. Bonds1

About (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one

(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 27261997) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID27261997
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2c3ccccc3C[C@H]2C)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C19H21N3O/c1-11-8-15-18(17(23)9-11)13(3)20-19(21-15)22-12(2)10-14-6-4-5-7-16(14)22/h4-7,11-12H,8-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyZNIOSOQIIPNHPD-NWDGAFQWSA-N
XLogP3.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

7-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 25249541
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 40696747
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999
2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16652858
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51727342
4-anilino-2-(2,3-dihydroindol-1-yl)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43902934
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101578
(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386793
N-ethyl-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-4-amine
CID 112928815
1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea
CID 17198262
(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 41001731

Frequently Asked Questions

What is the IUPAC name of (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 27261997) is (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2c3ccccc3C[C@H]2C)nc2c1C(=O)C[C@@H](C)C2.
What is the InChIKey of (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZNIOSOQIIPNHPD-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H21N3O/c1-11-8-15-18(17(23)9-11)13(3)20-19(21-15)22-12(2)10-14-6-4-5-7-16(14)22/h4-7,11-12H,8-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 307.40 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 27261997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).