N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C22H26N4O2 — CID 37043367

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-25-11-13-26(14-12-25)19-7-5-18(6-8-19)23-22(28)17-3-9-20-16(15-17)4-10-21(27)24-20/h3,5-9,15H,2,4,10-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyCYCDWDNULVFNIA-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.97
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 37043367) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID37043367
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-25-11-13-26(14-12-25)19-7-5-18(6-8-19)23-22(28)17-3-9-20-16(15-17)4-10-21(27)24-20/h3,5-9,15H,2,4,10-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyCYCDWDNULVFNIA-UHFFFAOYSA-N
XLogP2.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 30780885
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 87039947
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
2-oxo-N-(5-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78878186

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 37043367) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is CYCDWDNULVFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-25-11-13-26(14-12-25)19-7-5-18(6-8-19)23-22(28)17-3-9-20-16(15-17)4-10-21(27)24-20/h3,5-9,15H,2,4,10-14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 37043367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).