6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

C13H15ClN4O — CID 135570464

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCN1CCN(c2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)
InChIKeyBNASSGFQLMOZKG-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.33
Rot. Bonds1

About 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (PubChem CID 135570464) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
PubChem CID135570464
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
SMILESCN1CCN(c2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)
InChIKeyBNASSGFQLMOZKG-UHFFFAOYSA-N
XLogP1.33
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-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

6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
6-Chloro-2-methyl-4(3H)-quinazolinone
CID 135451982
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658023
FR-255595
CID 135532443
6-Chloroquinazolin-4(3H)-one
CID 135402273
1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5(1H)-one
CID 761910
6-Chloro-2-cyclohex-3-enyl-1-methyl-1,2,3,4-tetrahydroquinazolin-4-one
CID 2797226
2-[(4-acetylpiperazin-1-yl)methyl]-7-chloro-3H-quinazolin-4-one
CID 135399991
8-chloro-3,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6(2H)-one
CID 46230094
7-Chloro-10-methyl-2,3,5,10-tetrahydroimidazo[2,1-b]quinazolin-5-one
CID 331164
4(3H)-Quinazolinone, 6-chloro-3-methyl-
CID 63205

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one (CID 135570464) is 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is CN1CCN(c2nc3ccc(Cl)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
The InChIKey is BNASSGFQLMOZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one?
6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one has a molecular weight of 278.74 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135570464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).