1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C17H17BrN2O4 — CID 120528094

IUPAC1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H17BrN2O4/c1-10-8-13(12-9-11(18)2-3-14(12)19-10)15(21)20-6-4-17(24,5-7-20)16(22)23/h2-3,8-9,24H,4-7H2,1H3,(H,22,23)
InChIKeyPROMUHCLQXCHCL-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.36
Rot. Bonds2

About 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528094) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528094
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H17BrN2O4/c1-10-8-13(12-9-11(18)2-3-14(12)19-10)15(21)20-6-4-17(24,5-7-20)16(22)23/h2-3,8-9,24H,4-7H2,1H3,(H,22,23)
InChIKeyPROMUHCLQXCHCL-UHFFFAOYSA-N
XLogP2.36
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019
(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72911039
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
[4-(1-aminoethyl)piperidin-1-yl]-(7-bromo-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119519468
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 120528094) is 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)c2cc(Br)ccc2n1.
What is the InChIKey of 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is PROMUHCLQXCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-10-8-13(12-9-11(18)2-3-14(12)19-10)15(21)20-6-4-17(24,5-7-20)16(22)23/h2-3,8-9,24H,4-7H2,1H3,(H,22,23).
What are the key properties of 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 393.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).