N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C33H37N5O4 — CID 23563792

About N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 23563792) has the molecular formula C33H37N5O4 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• PubChem CID: 23563792
• Molecular Formula: C33H37N5O4
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.28
• IUPAC Name: N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• SMILES: CN1CC(C(=O)NC2(C)CN3C(Cc4ccccc4)C(=O)N4CCCC4C3(O)O2)C=C2c3cccc4[nH]cc(c34)CC21
• InChI: InChI=1S/C33H37N5O4/c1-32(19-38-27(14-20-8-4-3-5-9-20)31(40)37-13-7-12-28(37)33(38,41)42-32)35-30(39)22-15-24-23-10-6-11-25-29(23)21(17-34-25)16-26(24)36(2)18-22/h3-6,8-11,15,17,22,26-28,34,41H,7,12-14,16,18-19H2,1-2H3,(H,35,39)
• InChIKey: FBBDGWKVWUPDFT-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 101.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The IUPAC name of N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 23563792) is N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

What is the SMILES notation for N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The canonical SMILES for N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1CC(C(=O)NC2(C)CN3C(Cc4ccccc4)C(=O)N4CCCC4C3(O)O2)C=C2c3cccc4[nH]cc(c34)CC21.

What is the InChIKey of N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The InChIKey is FBBDGWKVWUPDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O4/c1-32(19-38-27(14-20-8-4-3-5-9-20)31(40)37-13-7-12-28(37)33(38,41)42-32)35-30(39)22-15-24-23-10-6-11-25-29(23)21(17-34-25)16-26(24)36(2)18-22/h3-6,8-11,15,17,22,26-28,34,41H,7,12-14,16,18-19H2,1-2H3,(H,35,39).

What are the key properties of N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-benzyl-2-hydroxy-4-methyl-8-oxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 23563792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).