(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one

C27H21ClN2O — CID 26516804

IUPAC(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c4c(cccc24)CC3)cc1Cl
InChIInChI=1S/C27H21ClN2O/c1-16-9-13-19(15-23(16)28)30-26(29-24-8-3-2-6-22(24)27(30)31)21-14-12-18-11-10-17-5-4-7-20(21)25(17)18/h2-9,12-15,26,29H,10-11H2,1H3/t26-/m1/s1
InChIKeyLJXJADZGEOBLLX-AREMUKBSSA-N
MW424.93 g/mol
LogP6.67
Rot. Bonds2

About (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 26516804) has the molecular formula C27H21ClN2O and a molecular weight of 424.93 g/mol. Its IUPAC name is (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one
PubChem CID26516804
Molecular FormulaC27H21ClN2O
Molecular Weight424.93 g/mol
Exact Mass424.13
IUPAC Name(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c4c(cccc24)CC3)cc1Cl
InChIInChI=1S/C27H21ClN2O/c1-16-9-13-19(15-23(16)28)30-26(29-24-8-3-2-6-22(24)27(30)31)21-14-12-18-11-10-17-5-4-7-20(21)25(17)18/h2-9,12-15,26,29H,10-11H2,1H3/t26-/m1/s1
InChIKeyLJXJADZGEOBLLX-AREMUKBSSA-N
XLogP6.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007422
2-(4-tert-butylphenyl)-3-(3-chloro-4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 23968799
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
(2S)-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 1104815
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
2-(3-chloro-4-methylphenyl)-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4120593
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one (CID 26516804) is (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c4c(cccc24)CC3)cc1Cl.
What is the InChIKey of (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LJXJADZGEOBLLX-AREMUKBSSA-N. The full InChI is InChI=1S/C27H21ClN2O/c1-16-9-13-19(15-23(16)28)30-26(29-24-8-3-2-6-22(24)27(30)31)21-14-12-18-11-10-17-5-4-7-20(21)25(17)18/h2-9,12-15,26,29H,10-11H2,1H3/t26-/m1/s1.
What are the key properties of (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 424.93 g/mol, XLogP of 6.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 26516804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).