(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

C26H27ClFN3O3 — CID 46861147

IUPAC(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccccc2Cl)cn3C2CC2)CC1
InChIInChI=1S/C26H27ClFN3O3/c1-2-29-9-11-30(12-10-29)24-14-23-19(13-22(24)28)25(32)20(15-31(23)18-7-8-18)26(33)34-16-17-5-3-4-6-21(17)27/h3-6,13-15,18H,2,7-12,16H2,1H3
InChIKeyQRDRMINAVRXFKG-UHFFFAOYSA-N
MW483.97 g/mol
LogP4.63
Rot. Bonds6

About (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 46861147) has the molecular formula C26H27ClFN3O3 and a molecular weight of 483.97 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID46861147
Molecular FormulaC26H27ClFN3O3
Molecular Weight483.97 g/mol
Exact Mass483.17
IUPAC Name(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccccc2Cl)cn3C2CC2)CC1
InChIInChI=1S/C26H27ClFN3O3/c1-2-29-9-11-30(12-10-29)24-14-23-19(13-22(24)28)25(32)20(15-31(23)18-7-8-18)26(33)34-16-17-5-3-4-6-21(17)27/h3-6,13-15,18H,2,7-12,16H2,1H3
InChIKeyQRDRMINAVRXFKG-UHFFFAOYSA-N
XLogP4.63
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.97
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

copper;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 118913911
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-[(2-fluorophenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46861235
[1-(2-chlorophenyl)triazol-4-yl]methyl 7-[4-[[1-(2-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 134131469
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-N-propan-2-ylquinoline-3-carboxamide
CID 46861228
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 176957523
ethyl 1-cyclopropyl-6-fluoro-7-(4-hexadecylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 118588725
benzyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
CID 58277080
1-cyclopropyl-N-(3-ethylphenyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide
CID 46861169
methyl 4-[[1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carbonyl]amino]benzoate
CID 46861188
7-[4-[(2E)-2-(2-chlorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 171348772
2-[(Z)-[[1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 56925433
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
CID 46861165

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate (CID 46861147) is (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate is CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccccc2Cl)cn3C2CC2)CC1.
What is the InChIKey of (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is QRDRMINAVRXFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O3/c1-2-29-9-11-30(12-10-29)24-14-23-19(13-22(24)28)25(32)20(15-31(23)18-7-8-18)26(33)34-16-17-5-3-4-6-21(17)27/h3-6,13-15,18H,2,7-12,16H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate?
(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 483.97 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 46861147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).