1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one

C182H151F15N26O9S2 — CID 161307397

About 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one

1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 161307397) has the molecular formula C182H151F15N26O9S2 and a molecular weight of 3195.49 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 161307397
• Molecular Formula: C182H151F15N26O9S2
• Molecular Weight: 3195.49 g/mol
• Exact Mass: 3193.14
• IUPAC Name: 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: CC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCNC(=O)C1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CN1CCN(C(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.O=c1ccc2cnc3ccc(-c4cccc5c4Sc4ccccc4S5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C39H35F3N6O2.C38H35F3N6O2.C36H30F3N5O2.C35H25F3N4OS2.C34H26F3N5O2/c1-45-16-18-47(19-17-45)38(50)25-12-14-46(15-13-25)35-10-8-30(22-32(35)39(40,41)42)48-36(49)11-7-28-23-44-34-9-6-26(21-31(34)37(28)48)29-20-27-4-2-3-5-33(27)43-24-29;1-45(2)18-15-42-37(49)24-13-16-46(17-14-24)34-11-9-29(21-31(34)38(39,40)41)47-35(48)12-8-27-22-44-33-10-7-25(20-30(33)36(27)47)28-19-26-5-3-4-6-32(26)43-23-28;1-2-5-33(45)43-16-14-42(15-17-43)32-12-10-27(20-29(32)36(37,38)39)44-34(46)13-9-25-21-41-31-11-8-23(19-28(31)35(25)44)26-18-24-6-3-4-7-30(24)40-22-26;36-35(37,38)26-19-23(10-12-28(26)41-16-14-39-15-17-41)42-32(43)13-9-22-20-40-27-11-8-21(18-25(27)33(22)42)24-4-3-7-31-34(24)45-30-6-2-1-5-29(30)44-31;1-21(43)40-12-14-41(15-13-40)31-10-8-26(18-28(31)34(35,36)37)42-32(44)11-7-24-19-39-30-9-6-22(17-27(30)33(24)42)25-16-23-4-2-3-5-29(23)38-20-25/h2-11,20-25H,12-19H2,1H3;3-12,19-24H,13-18H2,1-2H3,(H,42,49);3-4,6-13,18-22H,2,5,14-17H2,1H3;1-13,18-20,39H,14-17H2;2-11,16-20H,12-15H2,1H3
• InChIKey: VILACFWDHNZVNV-UHFFFAOYSA-N
• XLogP: 35.34
• TPSA: 350.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3195.49
LogP ≤ 5	35.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one (CID 161307397) is 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one is CC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCNC(=O)C1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CN1CCN(C(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.O=c1ccc2cnc3ccc(-c4cccc5c4Sc4ccccc4S5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.

What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is VILACFWDHNZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F3N6O2.C38H35F3N6O2.C36H30F3N5O2.C35H25F3N4OS2.C34H26F3N5O2/c1-45-16-18-47(19-17-45)38(50)25-12-14-46(15-13-25)35-10-8-30(22-32(35)39(40,41)42)48-36(49)11-7-28-23-44-34-9-6-26(21-31(34)37(28)48)29-20-27-4-2-3-5-33(27)43-24-29;1-45(2)18-15-42-37(49)24-13-16-46(17-14-24)34-11-9-29(21-31(34)38(39,40)41)47-35(48)12-8-27-22-44-33-10-7-25(20-30(33)36(27)47)28-19-26-5-3-4-6-32(26)43-23-28;1-2-5-33(45)43-16-14-42(15-17-43)32-12-10-27(20-29(32)36(37,38)39)44-34(46)13-9-25-21-41-31-11-8-23(19-28(31)35(25)44)26-18-24-6-3-4-7-30(24)40-22-26;36-35(37,38)26-19-23(10-12-28(26)41-16-14-39-15-17-41)42-32(43)13-9-22-20-40-27-11-8-21(18-25(27)33(22)42)24-4-3-7-31-34(24)45-30-6-2-1-5-29(30)44-31;1-21(43)40-12-14-41(15-13-40)31-10-8-26(18-28(31)34(35,36)37)42-32(44)11-7-24-19-39-30-9-6-22(17-27(30)33(24)42)25-16-23-4-2-3-5-29(23)38-20-25/h2-11,20-25H,12-19H2,1H3;3-12,19-24H,13-18H2,1-2H3,(H,42,49);3-4,6-13,18-22H,2,5,14-17H2,1H3;1-13,18-20,39H,14-17H2;2-11,16-20H,12-15H2,1H3.

What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one?

1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 3195.49 g/mol, XLogP of 35.34, 22 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thianthren-1-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 161307397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).