(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

C22H23FN2O3 — CID 97274157

About (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (PubChem CID 97274157) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
• PubChem CID: 97274157
• Molecular Formula: C22H23FN2O3
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.17
• IUPAC Name: (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1F
• InChI: InChI=1S/C22H23FN2O3/c1-14-4-5-16(12-19(14)23)22(27)25-9-8-15-6-7-18(11-17(15)13-25)24-21(26)20-3-2-10-28-20/h4-7,11-12,20H,2-3,8-10,13H2,1H3,(H,24,26)/t20-/m1/s1
• InChIKey: NTFILQWUEONSDC-HXUWFJFHSA-N
• XLogP: 3.45
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (CID 97274157) is (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is Cc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1F.

What is the InChIKey of (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

The InChIKey is NTFILQWUEONSDC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-14-4-5-16(12-19(14)23)22(27)25-9-8-15-6-7-18(11-17(15)13-25)24-21(26)20-3-2-10-28-20/h4-7,11-12,20H,2-3,8-10,13H2,1H3,(H,24,26)/t20-/m1/s1.

What are the key properties of (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?

(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 97274157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).