(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H21ClN4O — CID 42570579

IUPAC(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1
InChIInChI=1S/C19H21ClN4O/c1-23-6-8-24(9-7-23)19-21-12-16-17(22-19)10-14(11-18(16)25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
InChIKeyUNGSYUSJIALGDM-CQSZACIVSA-N
MW356.86 g/mol
LogP2.79
Rot. Bonds2

About (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 42570579) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID42570579
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1
InChIInChI=1S/C19H21ClN4O/c1-23-6-8-24(9-7-23)19-21-12-16-17(22-19)10-14(11-18(16)25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
InChIKeyUNGSYUSJIALGDM-CQSZACIVSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 41001704
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584968
(7S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386657
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
(7S)-2-(4-ethylpiperazin-4-ium-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2035840
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 99721337
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3987266
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41026673

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 42570579) is (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CN1CCN(c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)CC1.
What is the InChIKey of (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UNGSYUSJIALGDM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-23-6-8-24(9-7-23)19-21-12-16-17(22-19)10-14(11-18(16)25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 356.86 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 42570579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).