7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one

C23H25ClN4O2 — CID 59993246

IUPAC7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCc1cccc(C(=O)N2CCN(C(C)c3nc4cc(Cl)ccc4c(=O)n3C)CC2)c1
InChIInChI=1S/C23H25ClN4O2/c1-15-5-4-6-17(13-15)22(29)28-11-9-27(10-12-28)16(2)21-25-20-14-18(24)7-8-19(20)23(30)26(21)3/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyGEQQMPAFFIVAGX-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.41
Rot. Bonds3

About 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one

7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 59993246) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID59993246
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCc1cccc(C(=O)N2CCN(C(C)c3nc4cc(Cl)ccc4c(=O)n3C)CC2)c1
InChIInChI=1S/C23H25ClN4O2/c1-15-5-4-6-17(13-15)22(29)28-11-9-27(10-12-28)16(2)21-25-20-14-18(24)7-8-19(20)23(30)26(21)3/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyGEQQMPAFFIVAGX-UHFFFAOYSA-N
XLogP3.41
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
6-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993194
4-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42715213
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (CID 59993246) is 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is Cc1cccc(C(=O)N2CCN(C(C)c3nc4cc(Cl)ccc4c(=O)n3C)CC2)c1.
What is the InChIKey of 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is GEQQMPAFFIVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15-5-4-6-17(13-15)22(29)28-11-9-27(10-12-28)16(2)21-25-20-14-18(24)7-8-19(20)23(30)26(21)3/h4-8,13-14,16H,9-12H2,1-3H3.
What are the key properties of 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 424.93 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 59993246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).