N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide

C22H21N3O4 — CID 136542020

IUPACN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cc3ccccc3c(=O)n2C)C1=O
InChIInChI=1S/C22H21N3O4/c1-24-18(13-14-7-3-4-8-15(14)21(24)27)20(26)23-16-11-12-25(22(16)28)17-9-5-6-10-19(17)29-2/h3-10,13,16H,11-12H2,1-2H3,(H,23,26)
InChIKeyHPPAEZQGDHRZKV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide

N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 136542020) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID136542020
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2cc3ccccc3c(=O)n2C)C1=O
InChIInChI=1S/C22H21N3O4/c1-24-18(13-14-7-3-4-8-15(14)21(24)27)20(26)23-16-11-12-25(22(16)28)17-9-5-6-10-19(17)29-2/h3-10,13,16H,11-12H2,1-2H3,(H,23,26)
InChIKeyHPPAEZQGDHRZKV-UHFFFAOYSA-N
XLogP2.08
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 102559541
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
2-[2-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]ethyl]phthalazin-1-one
CID 167781051
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119814008
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
1-(ethylcarbamoylamino)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 167893221

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide (CID 136542020) is N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide is COc1ccccc1N1CCC(NC(=O)c2cc3ccccc3c(=O)n2C)C1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is HPPAEZQGDHRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-24-18(13-14-7-3-4-8-15(14)21(24)27)20(26)23-16-11-12-25(22(16)28)17-9-5-6-10-19(17)29-2/h3-10,13,16H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 136542020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).