1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one

C₈₄H₈₅N₁₅O₁₇S — CID 159738996

About 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one

1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one (PubChem CID 159738996) has the molecular formula C₈₄H₈₅N₁₅O₁₇S and a molecular weight of 1608.76 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one
• PubChem CID: 159738996
• Molecular Formula: C₈₄H₈₅N₁₅O₁₇S
• Molecular Weight: 1608.76 g/mol
• Exact Mass: 1607.60
• IUPAC Name: 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one
• SMILES: CCOC(=O)c1c(N2CCN(Cc3ccccc3)CC2)c2ccccc2n(C)c1=O.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccoc3)CC2)c2ccccc21.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccsc3)CC2)c2ccccc21.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(CC3CC3)c3ccccc23)CC1
• InChI: InChI=1S/C24H27N3O3.C22H22N4O5.C19H18N4O5.C19H18N4O4S/c1-3-30-24(29)21-22(19-11-7-8-12-20(19)25(2)23(21)28)27-15-13-26(14-16-27)17-18-9-5-4-6-10-18;27-21(18-6-3-13-31-18)24-11-9-23(10-12-24)19-16-4-1-2-5-17(16)25(14-15-7-8-15)22(28)20(19)26(29)30;2*1-20-15-5-3-2-4-14(15)16(17(19(20)25)23(26)27)21-7-9-22(10-8-21)18(24)13-6-11-28-12-13/h4-12H,3,13-17H2,1-2H3;1-6,13,15H,7-12,14H2;2*2-6,11-12H,7-10H2,1H3
• InChIKey: NCEYVAJCTVGXTE-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 347.13 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.76
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one?

The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one (CID 159738996) is 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one.

What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one?

The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one is CCOC(=O)c1c(N2CCN(Cc3ccccc3)CC2)c2ccccc2n(C)c1=O.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccoc3)CC2)c2ccccc21.Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)c3ccsc3)CC2)c2ccccc21.O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])c(=O)n(CC3CC3)c3ccccc23)CC1.

What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one?

The InChIKey is NCEYVAJCTVGXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C22H22N4O5.C19H18N4O5.C19H18N4O4S/c1-3-30-24(29)21-22(19-11-7-8-12-20(19)25(2)23(21)28)27-15-13-26(14-16-27)17-18-9-5-4-6-10-18;27-21(18-6-3-13-31-18)24-11-9-23(10-12-24)19-16-4-1-2-5-17(16)25(14-15-7-8-15)22(28)20(19)26(29)30;2*1-20-15-5-3-2-4-14(15)16(17(19(20)25)23(26)27)21-7-9-22(10-8-21)18(24)13-6-11-28-12-13/h4-12H,3,13-17H2,1-2H3;1-6,13,15H,7-12,14H2;2*2-6,11-12H,7-10H2,1H3.

What are the key properties of 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one?

1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one has a molecular weight of 1608.76 g/mol, XLogP of 10.39, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;ethyl 4-(4-benzylpiperazin-1-yl)-1-methyl-2-oxoquinoline-3-carboxylate;4-[4-(furan-3-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;1-methyl-3-nitro-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinolin-2-one is sourced from PubChem (CID 159738996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159738996 — identifiers, structure, computed properties (public domain)

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