(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one

C22H23FN2O4 — CID 38409779

IUPAC(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2
InChIInChI=1S/C22H23FN2O4/c1-28-19-9-14-7-8-24(12-15(14)10-20(19)29-2)22(27)16-11-21(26)25(13-16)18-6-4-3-5-17(18)23/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQOGORTHDDCVKAL-MRXNPFEDSA-N
MW398.43 g/mol
LogP2.78
Rot. Bonds4

About (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one

(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 38409779) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID38409779
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2
InChIInChI=1S/C22H23FN2O4/c1-28-19-9-14-7-8-24(12-15(14)10-20(19)29-2)22(27)16-11-21(26)25(13-16)18-6-4-3-5-17(18)23/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQOGORTHDDCVKAL-MRXNPFEDSA-N
XLogP2.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 94018225
(4S)-1-(2-fluorophenyl)-4-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29140373
1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 55359834
methyl 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189155
(4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9350947
methyl 2-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757639
methyl 2-[(3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757642
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 113185612
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one (CID 38409779) is (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one is COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2.
What is the InChIKey of (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is QOGORTHDDCVKAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-28-19-9-14-7-8-24(12-15(14)10-20(19)29-2)22(27)16-11-21(26)25(13-16)18-6-4-3-5-17(18)23/h3-6,9-10,16H,7-8,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one?
(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 398.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 38409779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).