6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

C20H27ClN4O2 — CID 45488614

IUPAC6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27ClN4O2/c1-13(24-8-10-25(11-9-24)19(27)20(2,3)4)17-22-16-7-6-14(21)12-15(16)18(26)23(17)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyBLBDOKQXROFICF-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.84
Rot. Bonds2

About 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one

6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (PubChem CID 45488614) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
PubChem CID45488614
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27ClN4O2/c1-13(24-8-10-25(11-9-24)19(27)20(2,3)4)17-22-16-7-6-14(21)12-15(16)18(26)23(17)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyBLBDOKQXROFICF-UHFFFAOYSA-N
XLogP2.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-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

Ispinesib
CID 6851740
2-[(E)-2-(4-Chloro-phenyl)-vinyl]-3-methyl-3H-quinazolin-4-one
CID 5763301
6-Chloro-2-methyl-4(3H)-quinazolinone
CID 135451982
4(3H)-Quinazolinone, 6-chloro-2-(4-methyl-1-piperazinyl)-
CID 135570464
2,6-Dichloro-4-methyl-11H-pyrido(2,1-b)quinazolin-11-one
CID 76971091
FR-255595
CID 135532443
N-(3-Aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
CID 71508542
2-[2-(2-chlorophenyl)vinyl]-3-ethyl-4(3H)-quinazolinone
CID 6247184
3-(4-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
CID 63340
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
2-[(4-acetylpiperazin-1-yl)methyl]-7-chloro-3H-quinazolin-4-one
CID 135399991
2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The IUPAC name of 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one (CID 45488614) is 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is CC(c1nc2ccc(Cl)cc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The InChIKey is BLBDOKQXROFICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-13(24-8-10-25(11-9-24)19(27)20(2,3)4)17-22-16-7-6-14(21)12-15(16)18(26)23(17)5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one has a molecular weight of 390.92 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 45488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).