N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C24H25N3O5 — CID 55761059

IUPACN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)n(C)c3ccccc23)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-26-19-9-5-4-8-15(19)16(13-22(26)28)23(29)25-18-14-21(32-3)20(31-2)12-17(18)24(30)27-10-6-7-11-27/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,25,29)
InChIKeyNANZWYVDGFHCIU-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.04
Rot. Bonds5

About N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55761059) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55761059
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)n(C)c3ccccc23)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C24H25N3O5/c1-26-19-9-5-4-8-15(19)16(13-22(26)28)23(29)25-18-14-21(32-3)20(31-2)12-17(18)24(30)27-10-6-7-11-27/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,25,29)
InChIKeyNANZWYVDGFHCIU-UHFFFAOYSA-N
XLogP3.04
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791535
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55761059) is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is COc1cc(NC(=O)c2cc(=O)n(C)c3ccccc23)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is NANZWYVDGFHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-26-19-9-5-4-8-15(19)16(13-22(26)28)23(29)25-18-14-21(32-3)20(31-2)12-17(18)24(30)27-10-6-7-11-27/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,25,29).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55761059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).