methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate

C17H16N2O4 — CID 95149140

IUPACmethyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)n1
InChIInChI=1S/C17H16N2O4/c1-9-6-10-11(7-16(21)19-14(10)8-15(9)20)12-4-3-5-13(18-12)17(22)23-2/h3-6,8,11,20H,7H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyDFKLLSOYUUQLKY-NSHDSACASA-N
MW312.33 g/mol
LogP2.36
Rot. Bonds2

About methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate

methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate (PubChem CID 95149140) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
PubChem CID95149140
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)n1
InChIInChI=1S/C17H16N2O4/c1-9-6-10-11(7-16(21)19-14(10)8-15(9)20)12-4-3-5-13(18-12)17(22)23-2/h3-6,8,11,20H,7H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyDFKLLSOYUUQLKY-NSHDSACASA-N
XLogP2.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
methyl 6-[(4S)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136882346
(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058
methyl 6-[(4R)-6-oxo-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]pyridine-2-carboxylate
CID 136713787
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
CID 95138160
7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
N-[4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 171388372
methyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 132504832
7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
CID 171912866
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate (CID 95149140) is methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)n1.
What is the InChIKey of methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate?
The InChIKey is DFKLLSOYUUQLKY-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O4/c1-9-6-10-11(7-16(21)19-14(10)8-15(9)20)12-4-3-5-13(18-12)17(22)23-2/h3-6,8,11,20H,7H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate?
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 95149140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).