4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid

C15H16N4O3 — CID 90014697

IUPAC4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
SMILESNC(=O)c1cnc2cc(N3CCN(C(=O)O)CC3)ccc2c1
InChIInChI=1S/C15H16N4O3/c16-14(20)11-7-10-1-2-12(8-13(10)17-9-11)18-3-5-19(6-4-18)15(21)22/h1-2,7-9H,3-6H2,(H2,16,20)(H,21,22)
InChIKeyOOUHICKBESRAEZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.13
Rot. Bonds2

About 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid

4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid (PubChem CID 90014697) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
PubChem CID90014697
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
SMILESNC(=O)c1cnc2cc(N3CCN(C(=O)O)CC3)ccc2c1
InChIInChI=1S/C15H16N4O3/c16-14(20)11-7-10-1-2-12(8-13(10)17-9-11)18-3-5-19(6-4-18)15(21)22/h1-2,7-9H,3-6H2,(H2,16,20)(H,21,22)
InChIKeyOOUHICKBESRAEZ-UHFFFAOYSA-N
XLogP1.13
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
N-5-quinolinylnicotinamide
CID 952495
XR-9577
CID 15950351
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322
4-[butyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450336
Quinoline-8-carboxamide
CID 150664
3-Quinolinecarboxamide
CID 15561101
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492818
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492821

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid (CID 90014697) is 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid is NC(=O)c1cnc2cc(N3CCN(C(=O)O)CC3)ccc2c1.
What is the InChIKey of 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid?
The InChIKey is OOUHICKBESRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-14(20)11-7-10-1-2-12(8-13(10)17-9-11)18-3-5-19(6-4-18)15(21)22/h1-2,7-9H,3-6H2,(H2,16,20)(H,21,22).
What are the key properties of 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid?
4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 90014697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).