1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one

C137H141Cl2FN20O7 — CID 158692418

IUPAC1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one
SMILESCN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5cccc(Cl)c5)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5Cl)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5F)c4c3)cc2)CC1.COc1cccc(Cn2c(=O)ccc3ccc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)c1.COc1ccccc1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21
InChIInChI=1S/2C28H30N4O2.2C27H27ClN4O.C27H27FN4O/c1-30-14-16-31(17-15-30)25-11-9-23(10-12-25)29-24-8-6-22-7-13-28(33)32(27(22)19-24)20-21-4-3-5-26(18-21)34-2;1-30-15-17-31(18-16-30)25-12-10-23(11-13-25)29-24-9-7-21-8-14-28(33)32(26(21)19-24)20-22-5-3-4-6-27(22)34-2;1-30-13-15-31(16-14-30)25-10-8-23(9-11-25)29-24-7-5-21-6-12-27(33)32(26(21)18-24)19-20-3-2-4-22(28)17-20;2*1-30-14-16-31(17-15-30)24-11-9-22(10-12-24)29-23-8-6-20-7-13-27(33)32(26(20)18-23)19-21-4-2-3-5-25(21)28/h3-13,18-19,29H,14-17,20H2,1-2H3;3-14,19,29H,15-18,20H2,1-2H3;2-12,17-18,29H,13-16,19H2,1H3;2*2-13,18,29H,14-17,19H2,1H3
InChIKeyIGNCYFPMDWLABJ-UHFFFAOYSA-N
MW2269.67 g/mol
LogP24.19
Rot. Bonds27

About 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one

1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one (PubChem CID 158692418) has the molecular formula C137H141Cl2FN20O7 and a molecular weight of 2269.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one
PubChem CID158692418
Molecular FormulaC137H141Cl2FN20O7
Molecular Weight2269.67 g/mol
Exact Mass2267.07
IUPAC Name1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one
SMILESCN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5cccc(Cl)c5)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5Cl)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5F)c4c3)cc2)CC1.COc1cccc(Cn2c(=O)ccc3ccc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)c1.COc1ccccc1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21
InChIInChI=1S/2C28H30N4O2.2C27H27ClN4O.C27H27FN4O/c1-30-14-16-31(17-15-30)25-11-9-23(10-12-25)29-24-8-6-22-7-13-28(33)32(27(22)19-24)20-21-4-3-5-26(18-21)34-2;1-30-15-17-31(18-16-30)25-12-10-23(11-13-25)29-24-9-7-21-8-14-28(33)32(26(21)19-24)20-22-5-3-4-6-27(22)34-2;1-30-13-15-31(16-14-30)25-10-8-23(9-11-25)29-24-7-5-21-6-12-27(33)32(26(21)18-24)19-20-3-2-4-22(28)17-20;2*1-30-14-16-31(17-15-30)24-11-9-22(10-12-24)29-23-8-6-20-7-13-27(33)32(26(20)18-23)19-21-4-2-3-5-25(21)28/h3-13,18-19,29H,14-17,20H2,1-2H3;3-14,19,29H,15-18,20H2,1-2H3;2-12,17-18,29H,13-16,19H2,1H3;2*2-13,18,29H,14-17,19H2,1H3
InChIKeyIGNCYFPMDWLABJ-UHFFFAOYSA-N
XLogP24.19
TPSA221.01 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.67
LogP ≤ 524.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one (CID 158692418) is 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one is CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5cccc(Cl)c5)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5Cl)c4c3)cc2)CC1.CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5F)c4c3)cc2)CC1.COc1cccc(Cn2c(=O)ccc3ccc(Nc4ccc(N5CCN(C)CC5)cc4)cc32)c1.COc1ccccc1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one?
The InChIKey is IGNCYFPMDWLABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N4O2.2C27H27ClN4O.C27H27FN4O/c1-30-14-16-31(17-15-30)25-11-9-23(10-12-25)29-24-8-6-22-7-13-28(33)32(27(22)19-24)20-21-4-3-5-26(18-21)34-2;1-30-15-17-31(18-16-30)25-12-10-23(11-13-25)29-24-9-7-21-8-14-28(33)32(26(21)19-24)20-22-5-3-4-6-27(22)34-2;1-30-13-15-31(16-14-30)25-10-8-23(9-11-25)29-24-7-5-21-6-12-27(33)32(26(21)18-24)19-20-3-2-4-22(28)17-20;2*1-30-14-16-31(17-15-30)24-11-9-22(10-12-24)29-23-8-6-20-7-13-27(33)32(26(20)18-23)19-21-4-2-3-5-25(21)28/h3-13,18-19,29H,14-17,20H2,1-2H3;3-14,19,29H,15-18,20H2,1-2H3;2-12,17-18,29H,13-16,19H2,1H3;2*2-13,18,29H,14-17,19H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one?
1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one has a molecular weight of 2269.67 g/mol, XLogP of 24.19, 27 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-chlorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-fluorophenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(2-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one;1-[(3-methoxyphenyl)methyl]-7-[4-(4-methylpiperazin-1-yl)anilino]quinolin-2-one is sourced from PubChem (CID 158692418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).