N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide

C21H16N2O4 — CID 166216438

IUPACN-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2ncccc12
InChIInChI=1S/C21H16N2O4/c1-2-26-17-10-9-15(20-14(17)7-5-11-22-20)23-21(25)19-12-16(24)13-6-3-4-8-18(13)27-19/h3-12H,2H2,1H3,(H,23,25)
InChIKeyNOLMNUJWUPNLQR-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.99
Rot. Bonds4

About N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide

N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide (PubChem CID 166216438) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
PubChem CID166216438
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2ncccc12
InChIInChI=1S/C21H16N2O4/c1-2-26-17-10-9-15(20-14(17)7-5-11-22-20)23-21(25)19-12-16(24)13-6-3-4-8-18(13)27-19/h3-12H,2H2,1H3,(H,23,25)
InChIKeyNOLMNUJWUPNLQR-UHFFFAOYSA-N
XLogP3.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-2-[(4-ethylphenyl)carbamoyl]-5-methoxyphenyl]-4-oxochromene-2-carboxamide
CID 174055483
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
CID 102989525
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-butyl-4-oxochromene-2-carboxamide
CID 11253603

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide (CID 166216438) is N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide is CCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2ncccc12.
What is the InChIKey of N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide?
The InChIKey is NOLMNUJWUPNLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-2-26-17-10-9-15(20-14(17)7-5-11-22-20)23-21(25)19-12-16(24)13-6-3-4-8-18(13)27-19/h3-12H,2H2,1H3,(H,23,25).
What are the key properties of N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide?
N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 166216438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).