7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride

C17H19Cl2N3O3 — CID 131667367

IUPAC7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O
InChIInChI=1S/C17H18ClN3O3.ClH/c18-13-8-14-11(7-15(13)20-5-3-19-4-6-20)16(22)12(17(23)24)9-21(14)10-1-2-10;/h7-10,19H,1-6H2,(H,23,24);1H
InChIKeyCXERMCKAUYNRNI-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.52
Rot. Bonds3

About 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride

7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride (PubChem CID 131667367) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
PubChem CID131667367
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O
InChIInChI=1S/C17H18ClN3O3.ClH/c18-13-8-14-11(7-15(13)20-5-3-19-4-6-20)16(22)12(17(23)24)9-21(14)10-1-2-10;/h7-10,19H,1-6H2,(H,23,24);1H
InChIKeyCXERMCKAUYNRNI-UHFFFAOYSA-N
XLogP2.52
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
(Z)-but-2-enedioic acid;1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 46190704
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;methanesulfonic acid
CID 46190771
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
1-cyclohexylpiperazine;7-(4-cyclohexylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70353590
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318
1-cyclopropyl-6-fluoro-7-(2-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 170455523
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;(2S)-2,6-diaminohexanal
CID 18393348

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride (CID 131667367) is 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cn(C2CC2)c2cc(Cl)c(N3CCNCC3)cc2c1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is CXERMCKAUYNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3.ClH/c18-13-8-14-11(7-15(13)20-5-3-19-4-6-20)16(22)12(17(23)24)9-21(14)10-1-2-10;/h7-10,19H,1-6H2,(H,23,24);1H.
What are the key properties of 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride?
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 384.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 131667367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).