(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C25H29N3O3 — CID 155395762

About (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 155395762) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
• PubChem CID: 155395762
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
• SMILES: COc1cc2c(cc1OCC1CC1)[C@@H](CCc1c[nH]c3ccccc13)N(C(N)=O)CC2
• InChI: InChI=1S/C25H29N3O3/c1-30-23-12-17-10-11-28(25(26)29)22(20(17)13-24(23)31-15-16-6-7-16)9-8-18-14-27-21-5-3-2-4-19(18)21/h2-5,12-14,16,22,27H,6-11,15H2,1H3,(H2,26,29)/t22-/m1/s1
• InChIKey: BGHMRBULBLBVGY-JOCHJYFZSA-N
• XLogP: 4.58
• TPSA: 80.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The IUPAC name of (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 155395762) is (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

What is the SMILES notation for (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The canonical SMILES for (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OCC1CC1)[C@@H](CCc1c[nH]c3ccccc13)N(C(N)=O)CC2.

What is the InChIKey of (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The InChIKey is BGHMRBULBLBVGY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-23-12-17-10-11-28(25(26)29)22(20(17)13-24(23)31-15-16-6-7-16)9-8-18-14-27-21-5-3-2-4-19(18)21/h2-5,12-14,16,22,27H,6-11,15H2,1H3,(H2,26,29)/t22-/m1/s1.

What are the key properties of (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?

(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 155395762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).