(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C21H18ClNO6 — CID 55368710

IUPAC(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1cc2oc(=O)cc(COC(=O)C3CCCN3C(=O)c3ccco3)c2cc1Cl
InChIInChI=1S/C21H18ClNO6/c1-12-8-18-14(10-15(12)22)13(9-19(24)29-18)11-28-21(26)16-4-2-6-23(16)20(25)17-5-3-7-27-17/h3,5,7-10,16H,2,4,6,11H2,1H3
InChIKeyWZUAHRSTOAYSCW-UHFFFAOYSA-N
MW415.83 g/mol
LogP3.70
Rot. Bonds4

About (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55368710) has the molecular formula C21H18ClNO6 and a molecular weight of 415.83 g/mol. Its IUPAC name is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55368710
Molecular FormulaC21H18ClNO6
Molecular Weight415.83 g/mol
Exact Mass415.08
IUPAC Name(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1cc2oc(=O)cc(COC(=O)C3CCCN3C(=O)c3ccco3)c2cc1Cl
InChIInChI=1S/C21H18ClNO6/c1-12-8-18-14(10-15(12)22)13(9-19(24)29-18)11-28-21(26)16-4-2-6-23(16)20(25)17-5-3-7-27-17/h3,5,7-10,16H,2,4,6,11H2,1H3
InChIKeyWZUAHRSTOAYSCW-UHFFFAOYSA-N
XLogP3.70
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
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 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate 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

6-chloro-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one
CID 2690286
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 42898560
(6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 27931573
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534296
1-O-benzyl 2-O-(6-chloro-4-ethyl-2-oxochromen-7-yl) pyrrolidine-1,2-dicarboxylate
CID 4905568
(7,8-dimethyl-2-oxochromen-4-yl)methyl (3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55937358
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 2550901
methyl 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]piperidine-2-carboxylate
CID 42893227
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-benzofuran-2-carboxylate
CID 7193771
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944738

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 55368710) is (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is Cc1cc2oc(=O)cc(COC(=O)C3CCCN3C(=O)c3ccco3)c2cc1Cl.
What is the InChIKey of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is WZUAHRSTOAYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO6/c1-12-8-18-14(10-15(12)22)13(9-19(24)29-18)11-28-21(26)16-4-2-6-23(16)20(25)17-5-3-7-27-17/h3,5,7-10,16H,2,4,6,11H2,1H3.
What are the key properties of (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 415.83 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 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 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55368710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).