1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one

C26H24N4O5 — CID 23543752

IUPAC1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c([N+](=O)[O-])c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(27-11-13-28(14-12-27)25(31)22-8-5-15-35-22)24(30(33)34)26(32)29(21)17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyYNJDWXDAPVWBQW-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.82
Rot. Bonds5

About 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one

1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one (PubChem CID 23543752) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
PubChem CID23543752
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c([N+](=O)[O-])c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(27-11-13-28(14-12-27)25(31)22-8-5-15-35-22)24(30(33)34)26(32)29(21)17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyYNJDWXDAPVWBQW-UHFFFAOYSA-N
XLogP3.82
TPSA101.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;chloromethane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 160666698
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846
1-benzyl-6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543755
1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543767
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543745
1-(2-cyclohexylethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)-3-nitroquinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-phenacylquinolin-2-one
CID 161340483
1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
CID 58799240
ethyl 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carboxylate
CID 159746864
1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(pyridin-4-ylmethyl)quinolin-2-one;1-methyl-3-nitro-4-[4-(piperidine-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 159969118
ethyl 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
CID 23543978
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-6-methyl-3-nitroquinolin-2-one;4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-6-methyl-3-nitroquinolin-2-one;4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-6-methyl-3-nitroquinolin-2-one
CID 159368483
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-6-methyl-3-nitroquinolin-2-one
CID 23543810

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one?
The IUPAC name of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one (CID 23543752) is 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one is Cc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c([N+](=O)[O-])c(=O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one?
The InChIKey is YNJDWXDAPVWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(27-11-13-28(14-12-27)25(31)22-8-5-15-35-22)24(30(33)34)26(32)29(21)17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one?
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one has a molecular weight of 472.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one is sourced from PubChem (CID 23543752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).