2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid

C17H20N2O2 — CID 7138041

IUPAC2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
SMILESCc1cc(N2CCC[C@H](C)C2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C17H20N2O2/c1-11-4-3-7-19(10-11)16-8-12(2)18-15-9-13(17(20)21)5-6-14(15)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyJRAORNXEVDGFMN-NSHDSACASA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds2

About 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid

2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid (PubChem CID 7138041) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
PubChem CID7138041
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
SMILESCc1cc(N2CCC[C@H](C)C2)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C17H20N2O2/c1-11-4-3-7-19(10-11)16-8-12(2)18-15-9-13(17(20)21)5-6-14(15)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyJRAORNXEVDGFMN-NSHDSACASA-N
XLogP3.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
CID 7138050
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
4-(4-benzylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid
CID 7138046
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
ethyl 1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylate
CID 23477113
4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methylquinoline-7-carboxylic acid
CID 7138047
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid?
The IUPAC name of 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid (CID 7138041) is 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid?
The canonical SMILES for 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid is Cc1cc(N2CCC[C@H](C)C2)c2ccc(C(=O)O)cc2n1.
What is the InChIKey of 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid?
The InChIKey is JRAORNXEVDGFMN-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-3-7-19(10-11)16-8-12(2)18-15-9-13(17(20)21)5-6-14(15)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid?
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).