3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine

C75H71N15O4 — CID 165055925

About 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine

3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 165055925) has the molecular formula C75H71N15O4 and a molecular weight of 1246.49 g/mol. Its IUPAC name is 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine
• PubChem CID: 165055925
• Molecular Formula: C75H71N15O4
• Molecular Weight: 1246.49 g/mol
• Exact Mass: 1245.58
• IUPAC Name: 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine
• SMILES: O=C1NCCc2ccccc21.O=C1NCCc2cccnc21.O=C1NCc2cccnc21.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1
• InChI: InChI=1S/C10H13N.C9H11NO.C9H9NO.C8H8N2O.4C8H6N2.C7H6N2O/c1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;11-9-8-4-2-1-3-7(8)5-6-10-9;11-8-7-6(3-5-10-8)2-1-4-9-7;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;10-7-6-5(4-9-7)2-1-3-8-6/h1-4,11H,5-8H2;1-4,10H,5-7H2;1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);4*1-6H;1-3H,4H2,(H,9,10)
• InChIKey: QKMPXGXFVDKGBT-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 249.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.49
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine?

The IUPAC name of 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 165055925) is 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine.

What is the SMILES notation for 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine?

The canonical SMILES for 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine is O=C1NCCc2ccccc21.O=C1NCCc2cccnc21.O=C1NCc2cccnc21.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CNCCO2.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2ncccc2c1.

What is the InChIKey of 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine?

The InChIKey is QKMPXGXFVDKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H11NO.C9H9NO.C8H8N2O.4C8H6N2.C7H6N2O/c1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-4-9-8(3-1)7-10-5-6-11-9;11-9-8-4-2-1-3-7(8)5-6-10-9;11-8-7-6(3-5-10-8)2-1-4-9-7;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;10-7-6-5(4-9-7)2-1-3-8-6/h1-4,11H,5-8H2;1-4,10H,5-7H2;1-4H,5-6H2,(H,10,11);1-2,4H,3,5H2,(H,10,11);4*1-6H;1-3H,4H2,(H,9,10).

What are the key properties of 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine?

3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 1246.49 g/mol, XLogP of 10.73, 0 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-isoquinolin-1-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,3,4,5-tetrahydro-1H-3-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 165055925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).