(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid

C18H17ClN4O2 — CID 162750277

IUPAC(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)C1
InChIInChI=1S/C18H17ClN4O2/c19-13-3-4-14-15(8-13)21-17(9-16(14)23-7-5-20-11-23)22-6-1-2-12(10-22)18(24)25/h3-5,7-9,11-12H,1-2,6,10H2,(H,24,25)/t12-/m0/s1
InChIKeyIHBSFESDKFXJMJ-LBPRGKRZSA-N
MW356.81 g/mol
LogP3.37
Rot. Bonds3

About (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid

(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid (PubChem CID 162750277) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid
PubChem CID162750277
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)C1
InChIInChI=1S/C18H17ClN4O2/c19-13-3-4-14-15(8-13)21-17(9-16(14)23-7-5-20-11-23)22-6-1-2-12(10-22)18(24)25/h3-5,7-9,11-12H,1-2,6,10H2,(H,24,25)/t12-/m0/s1
InChIKeyIHBSFESDKFXJMJ-LBPRGKRZSA-N
XLogP3.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
CID 169001726
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid
CID 162751496
4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid
CID 162750674
3-[[1-(8-chloro-4-imidazol-1-yl-7-methoxyquinolin-2-yl)azepan-3-yl]methoxy]propanoic acid
CID 174165433
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
(3S)-1-(8-bromo-7-chloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-ol
CID 174164774
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
CID 162751512

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid (CID 162750277) is (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)C1.
What is the InChIKey of (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is IHBSFESDKFXJMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-3-4-14-15(8-13)21-17(9-16(14)23-7-5-20-11-23)22-6-1-2-12(10-22)18(24)25/h3-5,7-9,11-12H,1-2,6,10H2,(H,24,25)/t12-/m0/s1.
What are the key properties of (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid?
(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 162750277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).