2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide

C21H21N3O — CID 174599482

IUPAC2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(C(N)=O)ccc2n1
InChIInChI=1S/C21H21N3O/c1-14-11-20(18-12-16(21(22)25)7-8-19(18)23-14)24-10-9-17(13-24)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13H2,1H3,(H2,22,25)
InChIKeyCULPFJSWORGEKZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.64
Rot. Bonds3

About 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide

2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide (PubChem CID 174599482) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
PubChem CID174599482
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(C(N)=O)ccc2n1
InChIInChI=1S/C21H21N3O/c1-14-11-20(18-12-16(21(22)25)7-8-19(18)23-14)24-10-9-17(13-24)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13H2,1H3,(H2,22,25)
InChIKeyCULPFJSWORGEKZ-UHFFFAOYSA-N
XLogP3.64
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
CID 172840492
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
CID 68776069
5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
CID 90900930
4-[1-(2-methyl-6-phenoxyquinolin-4-yl)pyrrolidin-3-yl]aniline
CID 175264996
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
CID 25116573
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
CID 25116797
4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
CID 25116798
2-methyl-4-piperidin-1-ylquinoline-6-carboxylic acid
CID 7137984
5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
CID 62131789
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide?
The IUPAC name of 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide (CID 174599482) is 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide.
What is the SMILES notation for 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide?
The canonical SMILES for 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide is Cc1cc(N2CCC(c3ccccc3)C2)c2cc(C(N)=O)ccc2n1.
What is the InChIKey of 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide?
The InChIKey is CULPFJSWORGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-11-20(18-12-16(21(22)25)7-8-19(18)23-14)24-10-9-17(13-24)15-5-3-2-4-6-15/h2-8,11-12,17H,9-10,13H2,1H3,(H2,22,25).
What are the key properties of 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide?
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide is sourced from PubChem (CID 174599482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).