tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C29H31N3O3 — CID 175486556

About tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 175486556) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 175486556
• Molecular Formula: C29H31N3O3
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.24
• IUPAC Name: tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: COc1cc2[nH]c(C)cc2cc1-c1ccc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccc2n1
• InChI: InChI=1S/C29H31N3O3/c1-18-14-22-16-23(27(34-5)17-26(22)30-18)25-9-7-21-15-20(6-8-24(21)31-25)19-10-12-32(13-11-19)28(33)35-29(2,3)4/h6-10,14-17,30H,11-13H2,1-5H3
• InChIKey: NDXHHRICNRZWIN-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 175486556) is tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1cc2[nH]c(C)cc2cc1-c1ccc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccc2n1.

What is the InChIKey of tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is NDXHHRICNRZWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-18-14-22-16-23(27(34-5)17-26(22)30-18)25-9-7-21-15-20(6-8-24(21)31-25)19-10-12-32(13-11-19)28(33)35-29(2,3)4/h6-10,14-17,30H,11-13H2,1-5H3.

What are the key properties of tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 469.59 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 175486556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).