N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide

C22H21N3O2 — CID 55643662

IUPACN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H21N3O2/c1-15-7-6-9-17(22(27)25-13-4-5-14-25)20(15)24-21(26)19-12-11-16-8-2-3-10-18(16)23-19/h2-3,6-12H,4-5,13-14H2,1H3,(H,24,26)
InChIKeyNXIRKPMDGPALSK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds3

About N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide

N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide (PubChem CID 55643662) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
PubChem CID55643662
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H21N3O2/c1-15-7-6-9-17(22(27)25-13-4-5-14-25)20(15)24-21(26)19-12-11-16-8-2-3-10-18(16)23-19/h2-3,6-12H,4-5,13-14H2,1H3,(H,24,26)
InChIKeyNXIRKPMDGPALSK-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
2-(4-fluorophenyl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78865281
4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 86980033
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841160
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 86980028
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
N-[2-(1,4-diazepane-1-carbonyl)-6-methylphenyl]-2-fluorobenzamide;hydrochloride
CID 119418666
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 43546417

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide (CID 55643662) is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The InChIKey is NXIRKPMDGPALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-7-6-9-17(22(27)25-13-4-5-14-25)20(15)24-21(26)19-12-11-16-8-2-3-10-18(16)23-19/h2-3,6-12H,4-5,13-14H2,1H3,(H,24,26).
What are the key properties of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide?
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 55643662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).