2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C24H21N3O3 — CID 4888416

IUPAC2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H21N3O3/c1-30-22-11-5-3-9-20(22)24(29)27(15-17-7-6-12-25-14-17)16-19-13-18-8-2-4-10-21(18)26-23(19)28/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyDTOSJYYHMLDNFA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.77
Rot. Bonds6

About 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4888416) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4888416
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H21N3O3/c1-30-22-11-5-3-9-20(22)24(29)27(15-17-7-6-12-25-14-17)16-19-13-18-8-2-4-10-21(18)26-23(19)28/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyDTOSJYYHMLDNFA-UHFFFAOYSA-N
XLogP3.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 4896654
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437359
3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1467506
3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1449557
3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1430710
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 1149699
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 1137542
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437358
2-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3721115
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 4888416) is 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is COc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DTOSJYYHMLDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-22-11-5-3-9-20(22)24(29)27(15-17-7-6-12-25-14-17)16-19-13-18-8-2-4-10-21(18)26-23(19)28/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4888416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).