5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C95H118Cl3N13O10 — CID 159502547

IUPAC5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESCCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(OC(C)C)c2)CC1.O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C26H35N3O3.C24H30ClN3O2.C23H28ClN3O2.C22H25ClN4O3/c1-20(2)32-22-8-4-7-21(19-22)28-17-15-27(16-18-28)13-6-14-29-24-9-5-10-25(31-3)23(24)11-12-26(29)30;1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20;1-29-19-6-2-5-18(17-19)26-15-13-25(14-16-26)11-4-12-27-22-8-3-7-21(24)20(22)9-10-23(27)28;23-20-6-2-7-21-19(20)8-9-22(28)26(21)11-3-10-24-12-14-25(15-13-24)17-4-1-5-18(16-17)27(29)30/h4-5,7-10,19-20H,6,11-18H2,1-3H3;3-4,6-9,18H,2,5,10-17H2,1H3;2-3,5-8,17H,4,9-16H2,1H3;1-2,4-7,16H,3,8-15H2
InChIKeyLZOMPOYZPUXEJO-UHFFFAOYSA-N
MW1708.43 g/mol
LogP15.78
Rot. Bonds27

About 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one

5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 159502547) has the molecular formula C95H118Cl3N13O10 and a molecular weight of 1708.43 g/mol. Its IUPAC name is 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID159502547
Molecular FormulaC95H118Cl3N13O10
Molecular Weight1708.43 g/mol
Exact Mass1705.82
IUPAC Name5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESCCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(OC(C)C)c2)CC1.O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C26H35N3O3.C24H30ClN3O2.C23H28ClN3O2.C22H25ClN4O3/c1-20(2)32-22-8-4-7-21(19-22)28-17-15-27(16-18-28)13-6-14-29-24-9-5-10-25(31-3)23(24)11-12-26(29)30;1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20;1-29-19-6-2-5-18(17-19)26-15-13-25(14-16-26)11-4-12-27-22-8-3-7-21(24)20(22)9-10-23(27)28;23-20-6-2-7-21-19(20)8-9-22(28)26(21)11-3-10-24-12-14-25(15-13-24)17-4-1-5-18(16-17)27(29)30/h4-5,7-10,19-20H,6,11-18H2,1-3H3;3-4,6-9,18H,2,5,10-17H2,1H3;2-3,5-8,17H,4,9-16H2,1H3;1-2,4-7,16H,3,8-15H2
InChIKeyLZOMPOYZPUXEJO-UHFFFAOYSA-N
XLogP15.78
TPSA187.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.43
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 19423441
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19423440
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
CID 10693902
5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19027729
1-(3-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazine
CID 782292
1-[(2-methoxy-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazine
CID 38124721
6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10766500
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-(3-chlorophenyl)-4-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
CID 10386085
3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol
CID 60500907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 159502547) is 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.COc1cccc(N2CCN(CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1.COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(OC(C)C)c2)CC1.O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is LZOMPOYZPUXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3.C24H30ClN3O2.C23H28ClN3O2.C22H25ClN4O3/c1-20(2)32-22-8-4-7-21(19-22)28-17-15-27(16-18-28)13-6-14-29-24-9-5-10-25(31-3)23(24)11-12-26(29)30;1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20;1-29-19-6-2-5-18(17-19)26-15-13-25(14-16-26)11-4-12-27-22-8-3-7-21(24)20(22)9-10-23(27)28;23-20-6-2-7-21-19(20)8-9-22(28)26(21)11-3-10-24-12-14-25(15-13-24)17-4-1-5-18(16-17)27(29)30/h4-5,7-10,19-20H,6,11-18H2,1-3H3;3-4,6-9,18H,2,5,10-17H2,1H3;2-3,5-8,17H,4,9-16H2,1H3;1-2,4-7,16H,3,8-15H2.
What are the key properties of 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 1708.43 g/mol, XLogP of 15.78, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;5-chloro-1-[3-[4-(3-nitrophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one;5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 159502547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).