7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate

C75H73ClN12O11 — CID 159274327

About 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate

7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate (PubChem CID 159274327) has the molecular formula C75H73ClN12O11 and a molecular weight of 1353.93 g/mol. Its IUPAC name is 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate.

Molecular Properties

• Compound Name: 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
• PubChem CID: 159274327
• Molecular Formula: C75H73ClN12O11
• Molecular Weight: 1353.93 g/mol
• Exact Mass: 1352.52
• IUPAC Name: 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
• SMILES: COC(=O)c1ccc2c(n1)C(=O)N(Cc1ccccc1)CC2.COC(=O)c1ccc2c(n1)C(=O)NCC2.COC(=O)c1ccc2c(n1)CNCC2.O=C1NCCc2cccnc21.O=C1c2nc(Cl)ccc2CCN1Cc1ccccc1.O=C1c2ncccc2CCN1Cc1ccccc1
• InChI: InChI=1S/C17H16N2O3.C15H13ClN2O.C15H14N2O.C10H10N2O3.C10H12N2O2.C8H8N2O/c1-22-17(21)14-8-7-13-9-10-19(16(20)15(13)18-14)11-12-5-3-2-4-6-12;16-13-7-6-12-8-9-18(15(19)14(12)17-13)10-11-4-2-1-3-5-11;18-15-14-13(7-4-9-16-14)8-10-17(15)11-12-5-2-1-3-6-12;1-15-10(14)7-3-2-6-4-5-11-9(13)8(6)12-7;1-14-10(13)8-3-2-7-4-5-11-6-9(7)12-8;11-8-7-6(3-5-10-8)2-1-4-9-7/h2-8H,9-11H2,1H3;1-7H,8-10H2;1-7,9H,8,10-11H2;2-3H,4-5H2,1H3,(H,11,13);2-3,11H,4-6H2,1H3;1-2,4H,3,5H2,(H,10,11)
• InChIKey: KYCMDKLEDYLISD-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 287.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.93
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?

The IUPAC name of 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate (CID 159274327) is 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate.

What is the SMILES notation for 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?

The canonical SMILES for 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate is COC(=O)c1ccc2c(n1)C(=O)N(Cc1ccccc1)CC2.COC(=O)c1ccc2c(n1)C(=O)NCC2.COC(=O)c1ccc2c(n1)CNCC2.O=C1NCCc2cccnc21.O=C1c2nc(Cl)ccc2CCN1Cc1ccccc1.O=C1c2ncccc2CCN1Cc1ccccc1.

What is the InChIKey of 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?

The InChIKey is KYCMDKLEDYLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.C15H13ClN2O.C15H14N2O.C10H10N2O3.C10H12N2O2.C8H8N2O/c1-22-17(21)14-8-7-13-9-10-19(16(20)15(13)18-14)11-12-5-3-2-4-6-12;16-13-7-6-12-8-9-18(15(19)14(12)17-13)10-11-4-2-1-3-5-11;18-15-14-13(7-4-9-16-14)8-10-17(15)11-12-5-2-1-3-6-12;1-15-10(14)7-3-2-6-4-5-11-9(13)8(6)12-7;1-14-10(13)8-3-2-7-4-5-11-6-9(7)12-8;11-8-7-6(3-5-10-8)2-1-4-9-7/h2-8H,9-11H2,1H3;1-7H,8-10H2;1-7,9H,8,10-11H2;2-3H,4-5H2,1H3,(H,11,13);2-3,11H,4-6H2,1H3;1-2,4H,3,5H2,(H,10,11).

What are the key properties of 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate?

7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate has a molecular weight of 1353.93 g/mol, XLogP of 8.32, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 159274327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).