7-piperazin-1-ylquinoline-3-carboxylic acid

C14H15N3O2 — CID 19073821

IUPAC7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(N3CCNCC3)ccc2c1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-10-1-2-12(8-13(10)16-9-11)17-5-3-15-4-6-17/h1-2,7-9,15H,3-6H2,(H,18,19)
InChIKeyGXTSEMWAXIHJOM-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.34
Rot. Bonds2

About 7-piperazin-1-ylquinoline-3-carboxylic acid

7-piperazin-1-ylquinoline-3-carboxylic acid (PubChem CID 19073821) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-piperazin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-piperazin-1-ylquinoline-3-carboxylic acid
PubChem CID19073821
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(N3CCNCC3)ccc2c1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-10-1-2-12(8-13(10)16-9-11)17-5-3-15-4-6-17/h1-2,7-9,15H,3-6H2,(H,18,19)
InChIKeyGXTSEMWAXIHJOM-UHFFFAOYSA-N
XLogP1.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Quinoline-3-carboxylic acid
CID 80971
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
8-Quinolinecarboxylic acid
CID 66582
6-Quinolinecarboxylic acid
CID 82571
Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, compd. with 3-pyridinecarboxylic acid (1:1)
CID 83908
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
AMPD2 Inhibitor
CID 91970656

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 7-piperazin-1-ylquinoline-3-carboxylic acid (CID 19073821) is 7-piperazin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-piperazin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 7-piperazin-1-ylquinoline-3-carboxylic acid is O=C(O)c1cnc2cc(N3CCNCC3)ccc2c1.
What is the InChIKey of 7-piperazin-1-ylquinoline-3-carboxylic acid?
The InChIKey is GXTSEMWAXIHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)11-7-10-1-2-12(8-13(10)16-9-11)17-5-3-15-4-6-17/h1-2,7-9,15H,3-6H2,(H,18,19).
What are the key properties of 7-piperazin-1-ylquinoline-3-carboxylic acid?
7-piperazin-1-ylquinoline-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 19073821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).