(10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride

C34H38ClN7O5 — CID 155972044

About (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride

(10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride (PubChem CID 155972044) has the molecular formula C34H38ClN7O5 and a molecular weight of 660.18 g/mol. Its IUPAC name is (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride.

Molecular Properties

• Compound Name: (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride
• PubChem CID: 155972044
• Molecular Formula: C34H38ClN7O5
• Molecular Weight: 660.18 g/mol
• Exact Mass: 659.26
• IUPAC Name: (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride
• SMILES: COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCNC2=O.Cl
• InChI: InChI=1S/C34H37N7O5.ClH/c1-22-32-38-31(23-8-4-3-5-9-23)39-41(32)16-17-46-29-19-25(12-13-28(29)45-2)33(43)35-14-15-40(21-30(42)37-22)34(44)27-18-24-10-6-7-11-26(24)20-36-27;/h3-13,19,22,27,36H,14-18,20-21H2,1-2H3,(H,35,43)(H,37,42);1H/t22-,27-;/m1./s1
• InChIKey: SITLKZGJPHRCPW-OHHMFLEWSA-N
• XLogP: 2.92
• TPSA: 139.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.18
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride?

The IUPAC name of (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride (CID 155972044) is (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride.

What is the SMILES notation for (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride?

The canonical SMILES for (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride is COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCNC2=O.Cl.

What is the InChIKey of (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride?

The InChIKey is SITLKZGJPHRCPW-OHHMFLEWSA-N. The full InChI is InChI=1S/C34H37N7O5.ClH/c1-22-32-38-31(23-8-4-3-5-9-23)39-41(32)16-17-46-29-19-25(12-13-28(29)45-2)33(43)35-14-15-40(21-30(42)37-22)34(44)27-18-24-10-6-7-11-26(24)20-36-27;/h3-13,19,22,27,36H,14-18,20-21H2,1-2H3,(H,35,43)(H,37,42);1H/t22-,27-;/m1./s1.

What are the key properties of (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride?

(10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride has a molecular weight of 660.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-22-methoxy-10-methyl-7-phenyl-14-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-2-oxa-5,6,8,11,14,17-hexazatricyclo[17.3.1.05,9]tricosa-1(22),6,8,19(23),20-pentaene-12,18-dione;hydrochloride is sourced from PubChem (CID 155972044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).