6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one

C19H26Cl2N4O — CID 156783752

IUPAC6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
SMILESCCCC(c1nc2cc(Cl)c(Cl)cc2c(=O)n1CC)N1CCN[C@@H](C)C1
InChIInChI=1S/C19H26Cl2N4O/c1-4-6-17(24-8-7-22-12(3)11-24)18-23-16-10-15(21)14(20)9-13(16)19(26)25(18)5-2/h9-10,12,17,22H,4-8,11H2,1-3H3/t12-,17?/m0/s1
InChIKeyRWLKKZOLUMAZKW-WHUIICBVSA-N
MW397.35 g/mol
LogP3.86
Rot. Bonds5

About 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one

6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one (PubChem CID 156783752) has the molecular formula C19H26Cl2N4O and a molecular weight of 397.35 g/mol. Its IUPAC name is 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
PubChem CID156783752
Molecular FormulaC19H26Cl2N4O
Molecular Weight397.35 g/mol
Exact Mass396.15
IUPAC Name6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
SMILESCCCC(c1nc2cc(Cl)c(Cl)cc2c(=O)n1CC)N1CCN[C@@H](C)C1
InChIInChI=1S/C19H26Cl2N4O/c1-4-6-17(24-8-7-22-12(3)11-24)18-23-16-10-15(21)14(20)9-13(16)19(26)25(18)5-2/h9-10,12,17,22H,4-8,11H2,1-3H3/t12-,17?/m0/s1
InChIKeyRWLKKZOLUMAZKW-WHUIICBVSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one with MolForge

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Related Compounds

6-bromo-3-ethyl-2-[1-(3-methylpiperazin-1-yl)butyl]quinazolin-4-one
CID 156783667
3-ethyl-2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]butyl]-6-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-one
CID 148687813
3-ethyl-6-methyl-2-[(1S)-1-[(3S)-3-methyl-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 166046834
6-bromo-3-ethyl-2-[(1S)-1-[(3S)-3-(hydroxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 156783741
6-bromo-3-ethyl-2-[(1R)-1-[(3R)-3-(methoxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 162424459
6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084
3-ethyl-6,7-dimethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 166046837
6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
CID 164617808
3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[4,3-d]pyrimidin-4-one
CID 163962579
N-[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethyl-4-oxoquinazolin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 151933583
3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163823148
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridine
CID 146328470

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one (CID 156783752) is 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one is CCCC(c1nc2cc(Cl)c(Cl)cc2c(=O)n1CC)N1CCN[C@@H](C)C1.
What is the InChIKey of 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one?
The InChIKey is RWLKKZOLUMAZKW-WHUIICBVSA-N. The full InChI is InChI=1S/C19H26Cl2N4O/c1-4-6-17(24-8-7-22-12(3)11-24)18-23-16-10-15(21)14(20)9-13(16)19(26)25(18)5-2/h9-10,12,17,22H,4-8,11H2,1-3H3/t12-,17?/m0/s1.
What are the key properties of 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one?
6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one has a molecular weight of 397.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 156783752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).