N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

C19H23FN4O3 — CID 110626280

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2cc3ccc(F)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-23-7-9-24(10-8-23)17(25)5-6-21-18(26)15-11-13-3-4-14(20)12-16(13)22-19(15)27/h3-4,11-12H,2,5-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyGSJXAOCKINUDQX-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.95
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110626280) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110626280
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN1CCN(C(=O)CCNC(=O)c2cc3ccc(F)cc3[nH]c2=O)CC1
InChIInChI=1S/C19H23FN4O3/c1-2-23-7-9-24(10-8-23)17(25)5-6-21-18(26)15-11-13-3-4-14(20)12-16(13)22-19(15)27/h3-4,11-12H,2,5-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyGSJXAOCKINUDQX-UHFFFAOYSA-N
XLogP0.95
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-fluorobenzamide
CID 51118033
7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110607516
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110354080
2-bromo-N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-oxopropyl]-5-fluorobenzamide
CID 55905038
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (CID 110626280) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is CCN1CCN(C(=O)CCNC(=O)c2cc3ccc(F)cc3[nH]c2=O)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GSJXAOCKINUDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-23-7-9-24(10-8-23)17(25)5-6-21-18(26)15-11-13-3-4-14(20)12-16(13)22-19(15)27/h3-4,11-12H,2,5-10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).