ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate

C19H18N2O3 — CID 53324739

IUPACethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate
SMILESCCOC(=O)CCc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)8-6-13-5-7-16-15(10-13)18(22)11-17(21-16)14-4-3-9-20-12-14/h3-5,7,9-12H,2,6,8H2,1H3,(H,21,22)
InChIKeyYSZCXSBEOCHLKO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.09
Rot. Bonds5

About ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate

ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate (PubChem CID 53324739) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate
PubChem CID53324739
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate
SMILESCCOC(=O)CCc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)8-6-13-5-7-16-15(10-13)18(22)11-17(21-16)14-4-3-9-20-12-14/h3-5,7,9-12H,2,6,8H2,1H3,(H,21,22)
InChIKeyYSZCXSBEOCHLKO-UHFFFAOYSA-N
XLogP3.09
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide
CID 16048415
3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
CID 25141260
3-pentanoyl-6-(pyridin-4-ylmethyl)-1H-quinolin-4-one
CID 44560609
3-pentanoyl-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
CID 44560610
3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one
CID 44560611
7-benzyl-2-pyridin-3-yl-1H-quinolin-4-one
CID 53324735
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
2-[6-(2-fluorophenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 67648027
N-(4-acetylphenyl)nicotinamide
CID 673698
Ethyl 4-[(4-acetylphenyl)amino]-6,8-dimethylquinoline-3-carboxylate
CID 1190556
2-Pyridin-2-yl-N-(2,4,6-triisopropyl-phenyl)-malonamic acid dodecyl ester
CID 10721395
4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde
CID 51003532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate?
The IUPAC name of ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate (CID 53324739) is ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate?
The canonical SMILES for ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate is CCOC(=O)CCc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1.
What is the InChIKey of ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate?
The InChIKey is YSZCXSBEOCHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)8-6-13-5-7-16-15(10-13)18(22)11-17(21-16)14-4-3-9-20-12-14/h3-5,7,9-12H,2,6,8H2,1H3,(H,21,22).
What are the key properties of ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate?
ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxo-2-pyridin-3-yl-1H-quinolin-6-yl)propanoate is sourced from PubChem (CID 53324739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).