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

C23H25ClN4O2 — CID 42715106

IUPAC7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCc1ccccc1C(=O)N1CCN(C(C)c2nc3cc(Cl)ccc3c(=O)n2C)CC1
InChIInChI=1S/C23H25ClN4O2/c1-15-6-4-5-7-18(15)23(30)28-12-10-27(11-13-28)16(2)21-25-20-14-17(24)8-9-19(20)22(29)26(21)3/h4-9,14,16H,10-13H2,1-3H3
InChIKeyJTWLSEKDTVSYAX-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.41
Rot. Bonds3

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

7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (PubChem CID 42715106) 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-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
PubChem CID42715106
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
SMILESCc1ccccc1C(=O)N1CCN(C(C)c2nc3cc(Cl)ccc3c(=O)n2C)CC1
InChIInChI=1S/C23H25ClN4O2/c1-15-6-4-5-7-18(15)23(30)28-12-10-27(11-13-28)16(2)21-25-20-14-17(24)8-9-19(20)22(29)26(21)3/h4-9,14,16H,10-13H2,1-3H3
InChIKeyJTWLSEKDTVSYAX-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

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

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Related Compounds

6-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993194
7-chloro-3-methyl-2-[1-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 59993246
N-(2,4-dichlorophenyl)-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714391
4-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42715213
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
CID 1055784
2-[1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993534
3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 11627395
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one (CID 42715106) is 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is Cc1ccccc1C(=O)N1CCN(C(C)c2nc3cc(Cl)ccc3c(=O)n2C)CC1.
What is the InChIKey of 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is JTWLSEKDTVSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15-6-4-5-7-18(15)23(30)28-12-10-27(11-13-28)16(2)21-25-20-14-17(24)8-9-19(20)22(29)26(21)3/h4-9,14,16H,10-13H2,1-3H3.
What are the key properties of 7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one?
7-chloro-3-methyl-2-[1-[4-(2-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-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 42715106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).