1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C19H23ClN2O3 — CID 42926322

IUPAC1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCc1cc2oc(=O)cc(CN3CCCC3C(=O)N(C)C)c2cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-4-12-8-17-14(10-15(12)20)13(9-18(23)25-17)11-22-7-5-6-16(22)19(24)21(2)3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyCACCSEWTANCDAE-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.06
Rot. Bonds4

About 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 42926322) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID42926322
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCc1cc2oc(=O)cc(CN3CCCC3C(=O)N(C)C)c2cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-4-12-8-17-14(10-15(12)20)13(9-18(23)25-17)11-22-7-5-6-16(22)19(24)21(2)3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyCACCSEWTANCDAE-UHFFFAOYSA-N
XLogP3.06
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 42926322) is 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CCc1cc2oc(=O)cc(CN3CCCC3C(=O)N(C)C)c2cc1Cl.
What is the InChIKey of 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CACCSEWTANCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-4-12-8-17-14(10-15(12)20)13(9-18(23)25-17)11-22-7-5-6-16(22)19(24)21(2)3/h8-10,16H,4-7,11H2,1-3H3.
What are the key properties of 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42926322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).