methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate

C19H19NO5 — CID 95127709

IUPACmethyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
SMILESCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C19H19NO5/c1-3-25-12-5-6-13-14(10-18(22)20-16(13)9-12)11-4-7-17(21)15(8-11)19(23)24-2/h4-9,14,21H,3,10H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyBYYMCBVJCBZZCB-CQSZACIVSA-N
MW341.36 g/mol
LogP3.05
Rot. Bonds4

About methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate

methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate (PubChem CID 95127709) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
PubChem CID95127709
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
SMILESCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C19H19NO5/c1-3-25-12-5-6-13-14(10-18(22)20-16(13)9-12)11-4-7-17(21)15(8-11)19(23)24-2/h4-9,14,21H,3,10H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyBYYMCBVJCBZZCB-CQSZACIVSA-N
XLogP3.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate with MolForge

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Related Compounds

methyl 2-hydroxy-5-[(4S)-6-oxo-1-pentan-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136820562
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3162323
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95127170
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
N-[4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
CID 169413733
(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 95136942
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
CID 95122059
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate (CID 95127709) is methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate is CCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate?
The InChIKey is BYYMCBVJCBZZCB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-25-12-5-6-13-14(10-18(22)20-16(13)9-12)11-4-7-17(21)15(8-11)19(23)24-2/h4-9,14,21H,3,10H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate?
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate has a molecular weight of 341.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate is sourced from PubChem (CID 95127709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).