1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide

C25H36FN5O2 — CID 46861247

IUPAC1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O
InChIInChI=1S/C25H36FN5O2/c1-4-28(5-2)10-9-27-25(33)20-17-31(18-7-8-18)22-16-23(21(26)15-19(22)24(20)32)30-13-11-29(6-3)12-14-30/h15-18H,4-14H2,1-3H3,(H,27,33)
InChIKeyCKYJDQQUDAXOFX-UHFFFAOYSA-N
MW457.59 g/mol
LogP2.69
Rot. Bonds9

About 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide

1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 46861247) has the molecular formula C25H36FN5O2 and a molecular weight of 457.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID46861247
Molecular FormulaC25H36FN5O2
Molecular Weight457.59 g/mol
Exact Mass457.29
IUPAC Name1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O
InChIInChI=1S/C25H36FN5O2/c1-4-28(5-2)10-9-27-25(33)20-17-31(18-7-8-18)22-16-23(21(26)15-19(22)24(20)32)30-13-11-29(6-3)12-14-30/h15-18H,4-14H2,1-3H3,(H,27,33)
InChIKeyCKYJDQQUDAXOFX-UHFFFAOYSA-N
XLogP2.69
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-[(2-fluorophenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46861235
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-N-propan-2-ylquinoline-3-carboxamide
CID 46861228
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-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 176957523
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
2-[(Z)-[[1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 56925433
5-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)amino]pentanoic acid
CID 52950357
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]quinolin-4-one
CID 98217044
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4-one
CID 175030306
7-[4-[(E)-4-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]but-2-enyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10078540
(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
CID 46861147

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide (CID 46861247) is 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide is CCN(CC)CCNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is CKYJDQQUDAXOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN5O2/c1-4-28(5-2)10-9-27-25(33)20-17-31(18-7-8-18)22-16-23(21(26)15-19(22)24(20)32)30-13-11-29(6-3)12-14-30/h15-18H,4-14H2,1-3H3,(H,27,33).
What are the key properties of 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide?
1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 457.59 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 46861247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).