N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C24H21ClN2O3 — CID 1459845

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C24H21ClN2O3/c1-16-9-10-20-18(12-16)13-19(23(25)26-20)15-27(24(28)22-8-5-11-30-22)14-17-6-3-4-7-21(17)29-2/h3-13H,14-15H2,1-2H3
InChIKeyYCGKYIZNADUNNF-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.64
Rot. Bonds6

About N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 1459845) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID1459845
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccco1
InChIInChI=1S/C24H21ClN2O3/c1-16-9-10-20-18(12-16)13-19(23(25)26-20)15-27(24(28)22-8-5-11-30-22)14-17-6-3-4-7-21(17)29-2/h3-13H,14-15H2,1-2H3
InChIKeyYCGKYIZNADUNNF-UHFFFAOYSA-N
XLogP5.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-3,3-dimethylurea
CID 1459843
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1439956
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216949
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216916
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3193973
N-benzyl-N-[(2-chloro-6-methylquinolin-3-yl)methyl]propanamide
CID 1459799
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 110907473
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-2-fluoro-N-[(3-methylphenyl)methyl]benzamide
CID 3229754
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
CID 3219509

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 1459845) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccco1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is YCGKYIZNADUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-16-9-10-20-18(12-16)13-19(23(25)26-20)15-27(24(28)22-8-5-11-30-22)14-17-6-3-4-7-21(17)29-2/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1459845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).