N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C21H16FN3O3 — CID 163417678

IUPACN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C21H16FN3O3/c22-16-7-6-14-10-15(20(26)24-19(14)11-16)12-25(13-17-4-3-9-28-17)21(27)18-5-1-2-8-23-18/h1-11H,12-13H2,(H,24,26)
InChIKeyAFVGWJYTBXDRKM-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.50
Rot. Bonds5

About N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 163417678) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID163417678
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(Cc1ccco1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C21H16FN3O3/c22-16-7-6-14-10-15(20(26)24-19(14)11-16)12-25(13-17-4-3-9-28-17)21(27)18-5-1-2-8-23-18/h1-11H,12-13H2,(H,24,26)
InChIKeyAFVGWJYTBXDRKM-UHFFFAOYSA-N
XLogP3.50
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2036920
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430788
N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 4887568
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 1453577
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 1422142
1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 1140378
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 4886888
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061
1-(furan-2-ylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 1138001

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 163417678) is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(Cc1ccco1)Cc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AFVGWJYTBXDRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-16-7-6-14-10-15(20(26)24-19(14)11-16)12-25(13-17-4-3-9-28-17)21(27)18-5-1-2-8-23-18/h1-11H,12-13H2,(H,24,26).
What are the key properties of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 163417678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).