(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C22H18ClN3O — CID 2003040

IUPAC(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H18ClN3O/c23-17-6-3-5-15(10-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-9-8-14-4-1-2-7-20(14)26/h1-7,10,13,16H,8-9,11-12H2/t16-/m0/s1
InChIKeyWZISPANGNCHOIH-INIZCTEOSA-N
MW375.86 g/mol
LogP4.74
Rot. Bonds2

About (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2003040) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2003040
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21
InChIInChI=1S/C22H18ClN3O/c23-17-6-3-5-15(10-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-9-8-14-4-1-2-7-20(14)26/h1-7,10,13,16H,8-9,11-12H2/t16-/m0/s1
InChIKeyWZISPANGNCHOIH-INIZCTEOSA-N
XLogP4.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41026673
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
2-[4-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazin-1-yl]ethyl 4-methoxybenzoate
CID 17190412
(7R)-2-(2,3-dihydroindol-1-yl)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386793
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
2-(2,3-dihydroindol-1-yl)-4-methyl-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16652858
N-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 4919434

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 2003040) is (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21.
What is the InChIKey of (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WZISPANGNCHOIH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-17-6-3-5-15(10-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-9-8-14-4-1-2-7-20(14)26/h1-7,10,13,16H,8-9,11-12H2/t16-/m0/s1.
What are the key properties of (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 375.86 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2003040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).