N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C127H104F6N18O8S2 — CID 160880090

About N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 160880090) has the molecular formula C127H104F6N18O8S2 and a molecular weight of 2188.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 160880090
• Molecular Formula: C127H104F6N18O8S2
• Molecular Weight: 2188.47 g/mol
• Exact Mass: 2186.76
• IUPAC Name: N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cccs6)cc5c43)cc2C(F)(F)F)cc1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccsc6)cc5c43)cc2C(F)(F)F)cc1
• InChI: InChI=1S/C33H29N5O2.2C32H23F3N4O2S.C30H29N5O2/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24;33-32(34,35)27-16-24(7-8-25(27)19-1-3-20(4-2-19)31(41)37-13-12-36)39-29(40)10-6-22-17-38-28-9-5-21(15-26(28)30(22)39)23-11-14-42-18-23;33-32(34,35)26-17-23(9-10-24(26)19-3-5-20(6-4-19)31(41)37-14-13-36)39-29(40)12-8-22-18-38-27-11-7-21(16-25(27)30(22)39)28-2-1-15-42-28;1-19-3-4-21(17-32-19)20-5-8-26-25(15-20)30-22(18-33-26)6-10-29(36)35(30)27-9-7-24(16-28(27)37-2)34-13-11-23(31)12-14-34/h2-11,16-20,25H,12-15,34H2,1H3;1-11,14-18H,12-13,36H2,(H,37,41);1-12,15-18H,13-14,36H2,(H,37,41);3-10,15-18,23H,11-14,31H2,1-2H3
• InChIKey: SMXMLYMNFKVODM-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 352.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2188.47
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 160880090) is N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4ccc(C)nc4)cc3c21.COc1cc(N2CCC(N)CC2)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cccs6)cc5c43)cc2C(F)(F)F)cc1.NCCNC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccsc6)cc5c43)cc2C(F)(F)F)cc1.

What is the InChIKey of N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is SMXMLYMNFKVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O2.2C32H23F3N4O2S.C30H29N5O2/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24;33-32(34,35)27-16-24(7-8-25(27)19-1-3-20(4-2-19)31(41)37-13-12-36)39-29(40)10-6-22-17-38-28-9-5-21(15-26(28)30(22)39)23-11-14-42-18-23;33-32(34,35)26-17-23(9-10-24(26)19-3-5-20(6-4-19)31(41)37-14-13-36)39-29(40)12-8-22-18-38-27-11-7-21(16-25(27)30(22)39)28-2-1-15-42-28;1-19-3-4-21(17-32-19)20-5-8-26-25(15-20)30-22(18-33-26)6-10-29(36)35(30)27-9-7-24(16-28(27)37-2)34-13-11-23(31)12-14-34/h2-11,16-20,25H,12-15,34H2,1H3;1-11,14-18H,12-13,36H2,(H,37,41);1-12,15-18H,13-14,36H2,(H,37,41);3-10,15-18,23H,11-14,31H2,1-2H3.

What are the key properties of N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2188.47 g/mol, XLogP of 23.82, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-2-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;N-(2-aminoethyl)-4-[4-(2-oxo-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 160880090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).