N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide

C23H25N3O — CID 166228442

IUPACN-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(CN2CCC(C(=O)N(C)c3ccccc3)C2)cc2cccnc12
InChIInChI=1S/C23H25N3O/c1-17-13-18(14-19-7-6-11-24-22(17)19)15-26-12-10-20(16-26)23(27)25(2)21-8-4-3-5-9-21/h3-9,11,13-14,20H,10,12,15-16H2,1-2H3
InChIKeyNRIWZIOPUPFYOQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide

N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide (PubChem CID 166228442) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
PubChem CID166228442
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(CN2CCC(C(=O)N(C)c3ccccc3)C2)cc2cccnc12
InChIInChI=1S/C23H25N3O/c1-17-13-18(14-19-7-6-11-24-22(17)19)15-26-12-10-20(16-26)23(27)25(2)21-8-4-3-5-9-21/h3-9,11,13-14,20H,10,12,15-16H2,1-2H3
InChIKeyNRIWZIOPUPFYOQ-UHFFFAOYSA-N
XLogP4.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122124527
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 124886900
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120905673
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 38142571
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43934743

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide (CID 166228442) is N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide is Cc1cc(CN2CCC(C(=O)N(C)c3ccccc3)C2)cc2cccnc12.
What is the InChIKey of N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is NRIWZIOPUPFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-13-18(14-19-7-6-11-24-22(17)19)15-26-12-10-20(16-26)23(27)25(2)21-8-4-3-5-9-21/h3-9,11,13-14,20H,10,12,15-16H2,1-2H3.
What are the key properties of N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide?
N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(8-methylquinolin-6-yl)methyl]-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166228442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).