1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one

C22H24ClN4O2+ — CID 7621132

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one
SMILESCC[NH+]1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C22H23ClN4O2/c1-2-25-10-12-26(13-11-25)21(28)19-14-17-4-3-9-24-20(17)27(22(19)29)15-16-5-7-18(23)8-6-16/h3-9,14H,2,10-13,15H2,1H3/p+1
InChIKeyRDGTZRHOZIJYCC-UHFFFAOYSA-O
MW411.91 g/mol
LogP1.46
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one

1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one (PubChem CID 7621132) has the molecular formula C22H24ClN4O2+ and a molecular weight of 411.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one
PubChem CID7621132
Molecular FormulaC22H24ClN4O2+
Molecular Weight411.91 g/mol
Exact Mass411.16
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one
SMILESCC[NH+]1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C22H23ClN4O2/c1-2-25-10-12-26(13-11-25)21(28)19-14-17-4-3-9-24-20(17)27(22(19)29)15-16-5-7-18(23)8-6-16/h3-9,14H,2,10-13,15H2,1H3/p+1
InChIKeyRDGTZRHOZIJYCC-UHFFFAOYSA-O
XLogP1.46
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995937
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996348

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one (CID 7621132) is 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one is CC[NH+]1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one?
The InChIKey is RDGTZRHOZIJYCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-25-10-12-26(13-11-25)21(28)19-14-17-4-3-9-24-20(17)27(22(19)29)15-16-5-7-18(23)8-6-16/h3-9,14H,2,10-13,15H2,1H3/p+1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one?
1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one has a molecular weight of 411.91 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 7621132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).