1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C129H98F9N13O10 — CID 158714855

About 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 158714855) has the molecular formula C129H98F9N13O10 and a molecular weight of 2161.27 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 158714855
• Molecular Formula: C129H98F9N13O10
• Molecular Weight: 2161.27 g/mol
• Exact Mass: 2159.74
• IUPAC Name: 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(OCCO)c(C(F)(F)F)c5)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4ccc5cc[nH]c5c4)cc3c2n1-c1ccc(OCCO)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(COC3CCCCO3)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(CN2CCCCC2)cc1
• InChI: InChI=1S/C40H30F3N3O3.C33H28N4O.C29H20F3N3O3.C27H20F3N3O3/c41-40(42,43)34-21-31(14-15-32(34)26-10-8-25(9-11-26)24-49-38-7-3-4-18-48-38)46-37(47)17-13-29-22-45-36-16-12-27(20-33(36)39(29)46)30-19-28-5-1-2-6-35(28)44-23-30;38-32-15-11-26-20-35-31-14-10-24(27-18-25-6-2-3-7-30(25)34-21-27)19-29(31)33(26)37(32)28-12-8-23(9-13-28)22-36-16-4-1-5-17-36;30-29(31,32)23-15-21(5-7-26(23)38-12-11-36)35-27(37)8-4-20-16-34-24-6-3-18(13-22(24)28(20)35)19-2-1-17-9-10-33-25(17)14-19;1-16-2-3-18(14-31-16)17-4-7-23-21(12-17)26-19(15-32-23)5-9-25(35)33(26)20-6-8-24(36-11-10-34)22(13-20)27(28,29)30/h1-2,5-6,8-17,19-23,38H,3-4,7,18,24H2;2-3,6-15,18-21H,1,4-5,16-17,22H2;1-10,13-16,33,36H,11-12H2;2-9,12-15,34H,10-11H2,1H3
• InChIKey: IJELXKHOSTVVEU-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 274.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.27
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 158714855) is 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(OCCO)c(C(F)(F)F)c5)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4ccc5cc[nH]c5c4)cc3c2n1-c1ccc(OCCO)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(COC3CCCCO3)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(CN2CCCCC2)cc1.

What is the InChIKey of 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is IJELXKHOSTVVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F3N3O3.C33H28N4O.C29H20F3N3O3.C27H20F3N3O3/c41-40(42,43)34-21-31(14-15-32(34)26-10-8-25(9-11-26)24-49-38-7-3-4-18-48-38)46-37(47)17-13-29-22-45-36-16-12-27(20-33(36)39(29)46)30-19-28-5-1-2-6-35(28)44-23-30;38-32-15-11-26-20-35-31-14-10-24(27-18-25-6-2-3-7-30(25)34-21-27)19-29(31)33(26)37(32)28-12-8-23(9-13-28)22-36-16-4-1-5-17-36;30-29(31,32)23-15-21(5-7-26(23)38-12-11-36)35-27(37)8-4-20-16-34-24-6-3-18(13-22(24)28(20)35)19-2-1-17-9-10-33-25(17)14-19;1-16-2-3-18(14-31-16)17-4-7-23-21(12-17)26-19(15-32-23)5-9-25(35)33(26)20-6-8-24(36-11-10-34)22(13-20)27(28,29)30/h1-2,5-6,8-17,19-23,38H,3-4,7,18,24H2;2-3,6-15,18-21H,1,4-5,16-17,22H2;1-10,13-16,33,36H,11-12H2;2-9,12-15,34H,10-11H2,1H3.

What are the key properties of 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?

1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2161.27 g/mol, XLogP of 27.60, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(1H-indol-6-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(oxan-2-yloxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(piperidin-1-ylmethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 158714855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).