6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one

C16H20ClN3O — CID 135407746

IUPAC6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
SMILESC[C@H](Nc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-10(11-5-3-2-4-6-11)18-16-19-14-8-7-12(17)9-13(14)15(21)20-16/h7-11H,2-6H2,1H3,(H2,18,19,20,21)/t10-/m0/s1
InChIKeyPBJOTCQEPQWJLD-JTQLQIEISA-N
MW305.81 g/mol
LogP3.96
Rot. Bonds3

About 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one

6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one (PubChem CID 135407746) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
PubChem CID135407746
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
SMILESC[C@H](Nc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-10(11-5-3-2-4-6-11)18-16-19-14-8-7-12(17)9-13(14)15(21)20-16/h7-11H,2-6H2,1H3,(H2,18,19,20,21)/t10-/m0/s1
InChIKeyPBJOTCQEPQWJLD-JTQLQIEISA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
CID 137201177
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
6-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136808817
6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 86345957
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
6-bromo-2-(3,3-dimethylbutan-2-ylamino)-3H-quinazolin-4-one
CID 135439543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one (CID 135407746) is 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one is C[C@H](Nc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one?
The InChIKey is PBJOTCQEPQWJLD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(11-5-3-2-4-6-11)18-16-19-14-8-7-12(17)9-13(14)15(21)20-16/h7-11H,2-6H2,1H3,(H2,18,19,20,21)/t10-/m0/s1.
What are the key properties of 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one?
6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one has a molecular weight of 305.81 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135407746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).