6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one

C16H18ClNO2 — CID 11109082

IUPAC6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)cc(NC3CCCCC3)c2cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-10-7-15-12(8-13(10)17)14(9-16(19)20-15)18-11-5-3-2-4-6-11/h7-9,11,18H,2-6H2,1H3
InChIKeyAFUVQAJFWHPQCN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.50
Rot. Bonds2

About 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one

6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one (PubChem CID 11109082) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one
PubChem CID11109082
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)cc(NC3CCCCC3)c2cc1Cl
InChIInChI=1S/C16H18ClNO2/c1-10-7-15-12(8-13(10)17)14(9-16(19)20-15)18-11-5-3-2-4-6-11/h7-9,11,18H,2-6H2,1H3
InChIKeyAFUVQAJFWHPQCN-UHFFFAOYSA-N
XLogP4.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-7-methyl-4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one
CID 20817848
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
6-chloro-4-[[(4-hydroxycyclohexyl)amino]methyl]-7-methylchromen-2-one
CID 9265659
methyl 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]piperidine-2-carboxylate
CID 42893227
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
6-chloro-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one
CID 7416827
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
2,4,5-trichloro-N-cyclohexylaniline
CID 28553160
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 98283157
(5R,6R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265180

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one?
The IUPAC name of 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one (CID 11109082) is 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one.
What is the SMILES notation for 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one?
The canonical SMILES for 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one is Cc1cc2oc(=O)cc(NC3CCCCC3)c2cc1Cl.
What is the InChIKey of 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one?
The InChIKey is AFUVQAJFWHPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-7-15-12(8-13(10)17)14(9-16(19)20-15)18-11-5-3-2-4-6-11/h7-9,11,18H,2-6H2,1H3.
What are the key properties of 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one?
6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one has a molecular weight of 291.78 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one is sourced from PubChem (CID 11109082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).