6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one

C37H36N6O4 — CID 166493601

About 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one

6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 166493601) has the molecular formula C37H36N6O4 and a molecular weight of 628.73 g/mol. Its IUPAC name is 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one
• PubChem CID: 166493601
• Molecular Formula: C37H36N6O4
• Molecular Weight: 628.73 g/mol
• Exact Mass: 628.28
• IUPAC Name: 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one
• SMILES: COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccc(-c5ccc6[nH]c(=O)cc(O)c6c5)cc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C37H36N6O4/c1-41-35-27(12-24(15-32(35)47-2)37(46)43-18-23-8-10-28(43)34(23)38)40-36(41)30-14-22-6-5-21(13-29(22)42(30)17-19-3-4-19)20-7-9-26-25(11-20)31(44)16-33(45)39-26/h5-7,9,11-16,19,23,28,34H,3-4,8,10,17-18,38H2,1-2H3,(H2,39,44,45)/t23?,28?,34-/m1/s1
• InChIKey: DAMOADWBROAURZ-OWOONTSJSA-N
• XLogP: 5.39
• TPSA: 131.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.73
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one?

The IUPAC name of 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one (CID 166493601) is 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one.

What is the SMILES notation for 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one?

The canonical SMILES for 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one is COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccc(-c5ccc6[nH]c(=O)cc(O)c6c5)cc4n3CC3CC3)n(C)c12.

What is the InChIKey of 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one?

The InChIKey is DAMOADWBROAURZ-OWOONTSJSA-N. The full InChI is InChI=1S/C37H36N6O4/c1-41-35-27(12-24(15-32(35)47-2)37(46)43-18-23-8-10-28(43)34(23)38)40-36(41)30-14-22-6-5-21(13-29(22)42(30)17-19-3-4-19)20-7-9-26-25(11-20)31(44)16-33(45)39-26/h5-7,9,11-16,19,23,28,34H,3-4,8,10,17-18,38H2,1-2H3,(H2,39,44,45)/t23?,28?,34-/m1/s1.

What are the key properties of 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one?

6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 628.73 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 166493601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).