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

C67H70N14O14 — CID 159969118

IUPAC1-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
SMILESCn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)C3CCCCN3)CC2)c2ccccc21.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(C3CCCC3)c3ccccc23)CC1.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C24H21N5O5.C23H24N4O5.C20H25N5O4/c30-23(20-6-3-15-34-20)27-13-11-26(12-14-27)21-18-4-1-2-5-19(18)28(24(31)22(21)29(32)33)16-17-7-9-25-10-8-17;28-22(19-10-5-15-32-19)25-13-11-24(12-14-25)20-17-8-3-4-9-18(17)26(16-6-1-2-7-16)23(29)21(20)27(30)31;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15/h1-10,15H,11-14,16H2;3-5,8-10,15-16H,1-2,6-7,11-14H2;2-3,6,8,15,21H,4-5,7,9-13H2,1H3
InChIKeyOEHUBGUUAGRPHD-UHFFFAOYSA-N
MW1295.38 g/mol
LogP7.73
Rot. Bonds12

About 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

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 (PubChem CID 159969118) has the molecular formula C67H70N14O14 and a molecular weight of 1295.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159969118
Molecular FormulaC67H70N14O14
Molecular Weight1295.38 g/mol
Exact Mass1294.52
IUPAC Name1-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
SMILESCn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)C3CCCCN3)CC2)c2ccccc21.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(C3CCCC3)c3ccccc23)CC1.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C24H21N5O5.C23H24N4O5.C20H25N5O4/c30-23(20-6-3-15-34-20)27-13-11-26(12-14-27)21-18-4-1-2-5-19(18)28(24(31)22(21)29(32)33)16-17-7-9-25-10-8-17;28-22(19-10-5-15-32-19)25-13-11-24(12-14-25)20-17-8-3-4-9-18(17)26(16-6-1-2-7-16)23(29)21(20)27(30)31;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15/h1-10,15H,11-14,16H2;3-5,8-10,15-16H,1-2,6-7,11-14H2;2-3,6,8,15,21H,4-5,7,9-13H2,1H3
InChIKeyOEHUBGUUAGRPHD-UHFFFAOYSA-N
XLogP7.73
TPSA317.27 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.38
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
CID 23543752
1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543767
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846
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-methyl-3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-2-one
CID 23543785
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543745
ethyl 1-methyl-2-oxo-4-[4-(thiolane-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-(thiophen-3-ylmethyl)quinoline-3-carboxylate;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-3-nitroquinolin-2-one
CID 157205036
1-benzyl-4-(4-methylpiperidin-1-yl)-3-nitroquinolin-2-one
CID 2936919
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxylate;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-methyl-3-nitro-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one
CID 161133508
1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157277047
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane
CID 161069610

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)C3CCCCN3)CC2)c2ccccc21.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(C3CCCC3)c3ccccc23)CC1.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(Cc3ccncc3)c3ccccc23)CC1.
What is the InChIKey of 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?
The InChIKey is OEHUBGUUAGRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5.C23H24N4O5.C20H25N5O4/c30-23(20-6-3-15-34-20)27-13-11-26(12-14-27)21-18-4-1-2-5-19(18)28(24(31)22(21)29(32)33)16-17-7-9-25-10-8-17;28-22(19-10-5-15-32-19)25-13-11-24(12-14-25)20-17-8-3-4-9-18(17)26(16-6-1-2-7-16)23(29)21(20)27(30)31;1-22-16-8-3-2-6-14(16)17(18(20(22)27)25(28)29)23-10-12-24(13-11-23)19(26)15-7-4-5-9-21-15/h1-10,15H,11-14,16H2;3-5,8-10,15-16H,1-2,6-7,11-14H2;2-3,6,8,15,21H,4-5,7,9-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1295.38 g/mol, XLogP of 7.73, 12 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).