N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide

C22H23N3O2 — CID 44533094

IUPACN-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
SMILESCOc1c(C(=O)NC2CCN(Cc3ccccc3)C2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-27-21-18-9-5-6-10-20(18)23-13-19(21)22(26)24-17-11-12-25(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyNDNAGLVRQAPTRG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.25
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide (PubChem CID 44533094) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
PubChem CID44533094
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
SMILESCOc1c(C(=O)NC2CCN(Cc3ccccc3)C2)cnc2ccccc12
InChIInChI=1S/C22H23N3O2/c1-27-21-18-9-5-6-10-20(18)23-13-19(21)22(26)24-17-11-12-25(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyNDNAGLVRQAPTRG-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3855840
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide (CID 44533094) is N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide is COc1c(C(=O)NC2CCN(Cc3ccccc3)C2)cnc2ccccc12.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide?
The InChIKey is NDNAGLVRQAPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-18-9-5-6-10-20(18)23-13-19(21)22(26)24-17-11-12-25(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 44533094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).