4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid

C23H24N2O4 — CID 97209780

IUPAC4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
SMILESCOc1ccc2cc(CN3CCC[C@@H](c4ccc(C(=O)O)cc4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C23H24N2O4/c1-29-20-9-8-17-11-19(22(26)24-21(17)12-20)14-25-10-2-3-18(13-25)15-4-6-16(7-5-15)23(27)28/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,24,26)(H,27,28)/t18-/m1/s1
InChIKeySUAQPHBYXWRYDZ-GOSISDBHSA-N
MW392.46 g/mol
LogP3.61
Rot. Bonds5

About 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid

4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid (PubChem CID 97209780) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
PubChem CID97209780
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
SMILESCOc1ccc2cc(CN3CCC[C@@H](c4ccc(C(=O)O)cc4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C23H24N2O4/c1-29-20-9-8-17-11-19(22(26)24-21(17)12-20)14-25-10-2-3-18(13-25)15-4-6-16(7-5-15)23(27)28/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,24,26)(H,27,28)/t18-/m1/s1
InChIKeySUAQPHBYXWRYDZ-GOSISDBHSA-N
XLogP3.61
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid with MolForge

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Related Compounds

7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95210664
7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid (CID 97209780) is 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid is COc1ccc2cc(CN3CCC[C@@H](c4ccc(C(=O)O)cc4)C3)c(=O)[nH]c2c1.
What is the InChIKey of 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid?
The InChIKey is SUAQPHBYXWRYDZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-29-20-9-8-17-11-19(22(26)24-21(17)12-20)14-25-10-2-3-18(13-25)15-4-6-16(7-5-15)23(27)28/h4-9,11-12,18H,2-3,10,13-14H2,1H3,(H,24,26)(H,27,28)/t18-/m1/s1.
What are the key properties of 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid?
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 97209780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).