N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide

C16H19N3O2 — CID 155949082

IUPACN-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-21-15-10-12(13-6-2-3-7-14(13)18-15)11-17-16(20)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,17,20)
InChIKeyFOLSYXLIGXSFRC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds3

About N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide

N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 155949082) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID155949082
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-21-15-10-12(13-6-2-3-7-14(13)18-15)11-17-16(20)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,17,20)
InChIKeyFOLSYXLIGXSFRC-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 167758245
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996
N-benzylazonane-1-carboxamide
CID 130689649
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122014882
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide (CID 155949082) is N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide is COc1cc(CNC(=O)N2CCCC2)c2ccccc2n1.
What is the InChIKey of N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is FOLSYXLIGXSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-10-12(13-6-2-3-7-14(13)18-15)11-17-16(20)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,17,20).
What are the key properties of N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155949082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).