(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C24H18ClNO6 — CID 16534296

IUPAC(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1cc2oc(=O)cc(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2cc1Cl
InChIInChI=1S/C24H18ClNO6/c1-13-5-6-15(9-19(13)26-23(28)20-4-3-7-30-20)24(29)31-12-16-10-22(27)32-21-8-14(2)18(25)11-17(16)21/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyHVROYAKMKDABCJ-UHFFFAOYSA-N
MW451.86 g/mol
LogP5.27
Rot. Bonds5

About (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 16534296) has the molecular formula C24H18ClNO6 and a molecular weight of 451.86 g/mol. Its IUPAC name is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID16534296
Molecular FormulaC24H18ClNO6
Molecular Weight451.86 g/mol
Exact Mass451.08
IUPAC Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1cc2oc(=O)cc(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2cc1Cl
InChIInChI=1S/C24H18ClNO6/c1-13-5-6-15(9-19(13)26-23(28)20-4-3-7-30-20)24(29)31-12-16-10-22(27)32-21-8-14(2)18(25)11-17(16)21/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyHVROYAKMKDABCJ-UHFFFAOYSA-N
XLogP5.27
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
(2-nitrophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9318976
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(methoxymethyl)benzoate
CID 7587927
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-fluorobenzoate
CID 8612244
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-methoxybenzoate
CID 7861892
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605504
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 7841115
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
methyl 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]-4-methylbenzoate
CID 9347596

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 16534296) is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1cc2oc(=O)cc(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2cc1Cl.
What is the InChIKey of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is HVROYAKMKDABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO6/c1-13-5-6-15(9-19(13)26-23(28)20-4-3-7-30-20)24(29)31-12-16-10-22(27)32-21-8-14(2)18(25)11-17(16)21/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 451.86 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 16534296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).