6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide

C22H23N3O2 — CID 110422824

IUPAC6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCCC4)c3)cc2c1
InChIInChI=1S/C22H23N3O2/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-6-5-7-18(13-17)25-8-3-4-9-25/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNTOMTZRYDLFTKC-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.00
Rot. Bonds3

About 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide

6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide (PubChem CID 110422824) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
PubChem CID110422824
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
SMILESCc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCCC4)c3)cc2c1
InChIInChI=1S/C22H23N3O2/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-6-5-7-18(13-17)25-8-3-4-9-25/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNTOMTZRYDLFTKC-UHFFFAOYSA-N
XLogP4.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-N-(3-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110618703
4-methyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 75450141
6,8-dimethyl-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 110312148
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide (CID 110422824) is 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide is Cc1cc(C)c2[nH]c(=O)c(C(=O)Nc3cccc(N4CCCC4)c3)cc2c1.
What is the InChIKey of 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide?
The InChIKey is NTOMTZRYDLFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-10-15(2)20-16(11-14)12-19(22(27)24-20)21(26)23-17-6-5-7-18(13-17)25-8-3-4-9-25/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide?
6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110422824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).