3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride

C52H54Cl6N6O7 — CID 157151108

About 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride

3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride (PubChem CID 157151108) has the molecular formula C52H54Cl6N6O7 and a molecular weight of 1087.76 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride
• PubChem CID: 157151108
• Molecular Formula: C52H54Cl6N6O7
• Molecular Weight: 1087.76 g/mol
• Exact Mass: 1084.22
• IUPAC Name: 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride
• SMILES: Cl.Cl.O=C(CCc1ccc(Cl)cc1Cl)N1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1.O=C(O)CCc1ccc(Cl)cc1Cl.O=C(c1c2c(nc3ccccc13)CCNC2)N1CCOCC1
• InChI: InChI=1S/C26H25Cl2N3O3.C17H19N3O2.C9H8Cl2O2.2ClH/c27-18-7-5-17(21(28)15-18)6-8-24(32)31-10-9-23-20(16-31)25(19-3-1-2-4-22(19)29-23)26(33)30-11-13-34-14-12-30;21-17(20-7-9-22-10-8-20)16-12-3-1-2-4-14(12)19-15-5-6-18-11-13(15)16;10-7-3-1-6(8(11)5-7)2-4-9(12)13;;/h1-5,7,15H,6,8-14,16H2;1-4,18H,5-11H2;1,3,5H,2,4H2,(H,12,13);2*1H
• InChIKey: ANLAZYRBRUEADD-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 154.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.76
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride?

The IUPAC name of 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride (CID 157151108) is 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride.

What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride?

The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride is Cl.Cl.O=C(CCc1ccc(Cl)cc1Cl)N1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1.O=C(O)CCc1ccc(Cl)cc1Cl.O=C(c1c2c(nc3ccccc13)CCNC2)N1CCOCC1.

What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride?

The InChIKey is ANLAZYRBRUEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3.C17H19N3O2.C9H8Cl2O2.2ClH/c27-18-7-5-17(21(28)15-18)6-8-24(32)31-10-9-23-20(16-31)25(19-3-1-2-4-22(19)29-23)26(33)30-11-13-34-14-12-30;21-17(20-7-9-22-10-8-20)16-12-3-1-2-4-14(12)19-15-5-6-18-11-13(15)16;10-7-3-1-6(8(11)5-7)2-4-9(12)13;;/h1-5,7,15H,6,8-14,16H2;1-4,18H,5-11H2;1,3,5H,2,4H2,(H,12,13);2*1H.

What are the key properties of 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride?

3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride has a molecular weight of 1087.76 g/mol, XLogP of 9.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dichlorophenyl)-1-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]propan-1-one;3-(2,4-dichlorophenyl)propanoic acid;morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone;dihydrochloride is sourced from PubChem (CID 157151108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).