6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one

C16H20ClN3O — CID 156870467

IUPAC6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-20(12-5-3-2-4-6-12)10-15-18-14-8-7-11(17)9-13(14)16(21)19-15/h7-9,12H,2-6,10H2,1H3,(H,18,19,21)
InChIKeyQGKDUKPBTOYLND-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.34
Rot. Bonds3

About 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one

6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 156870467) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID156870467
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-20(12-5-3-2-4-6-12)10-15-18-14-8-7-11(17)9-13(14)16(21)19-15/h7-9,12H,2-6,10H2,1H3,(H,18,19,21)
InChIKeyQGKDUKPBTOYLND-UHFFFAOYSA-N
XLogP3.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
7-chloro-2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135811823
6-chloro-2-[(N,3-dimethylanilino)methyl]-3H-quinazolin-4-one
CID 156870496
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
CID 135407746
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
2,6-dichloro-3H-quinazolin-4-one
CID 135742281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one (CID 156870467) is 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is QGKDUKPBTOYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20(12-5-3-2-4-6-12)10-15-18-14-8-7-11(17)9-13(14)16(21)19-15/h7-9,12H,2-6,10H2,1H3,(H,18,19,21).
What are the key properties of 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one?
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 305.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 156870467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).