3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one

C23H20ClNO3 — CID 11280858

IUPAC3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C23H20ClNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h4-5,8-13,16,25H,1-3,6-7H2
InChIKeyNNXVNBLVCLICON-UHFFFAOYSA-N
MW393.87 g/mol
LogP6.60
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one

3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one (PubChem CID 11280858) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one
PubChem CID11280858
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C23H20ClNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h4-5,8-13,16,25H,1-3,6-7H2
InChIKeyNNXVNBLVCLICON-UHFFFAOYSA-N
XLogP6.60
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
2-(Cyclohexylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11200525
2-(Cyclohexylamino)-6-methyl-3-(4-chlorophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11405650
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-4h-furo[3,2-c]chromen-4-one
CID 12024775
2-(cyclohexylamino)-3-phenyl-4H-furo[3,2-c]chromen-4-one
CID 12024774
Dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
3-(2-fluorophenyl)-2-[(2-methoxyethyl)amino]-4H-furo[3,2-c]chromen-4-one
CID 8741318
3-(3-fluorophenyl)-2-((2-methoxyethyl)amino)-4H-furo[3,2-c]chromen-4-one
CID 8741319
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-4H-furo[3,2-c]chromen-4-one
CID 8741320
methyl 4-{8-fluoro-2-[(2-methoxyethyl)amino]-4-oxo-4H-furo[3,2-c]chromen-3-yl}benzoate
CID 8741328
2-[(2-methoxyethyl)amino]-6-methyl-3-(4-methylphenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462144
3-(4-ethoxyphenyl)-2-[(2-methoxyethyl)amino]-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462532

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one (CID 11280858) is 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one is O=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one?
The InChIKey is NNXVNBLVCLICON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h4-5,8-13,16,25H,1-3,6-7H2.
What are the key properties of 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one?
3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one has a molecular weight of 393.87 g/mol, XLogP of 6.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(cyclohexylamino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 11280858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).