2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C23H21N3O — CID 4602970

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21
InChIInChI=1S/C23H21N3O/c27-22-13-19(16-6-2-1-3-7-16)12-21-20(22)14-24-23(25-21)26-11-10-17-8-4-5-9-18(17)15-26/h1-9,14,19H,10-13,15H2
InChIKeyZIHSMWIIDFJPCV-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.95
Rot. Bonds2

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4602970) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4602970
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21
InChIInChI=1S/C23H21N3O/c27-22-13-19(16-6-2-1-3-7-16)12-21-20(22)14-24-23(25-21)26-11-10-17-8-4-5-9-18(17)15-26/h1-9,14,19H,10-13,15H2
InChIKeyZIHSMWIIDFJPCV-UHFFFAOYSA-N
XLogP3.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531
7-(3-chlorophenyl)-2-(morpholin-4-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665689

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 4602970) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZIHSMWIIDFJPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-22-13-19(16-6-2-1-3-7-16)12-21-20(22)14-24-23(25-21)26-11-10-17-8-4-5-9-18(17)15-26/h1-9,14,19H,10-13,15H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 355.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4602970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).