1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C22H25N3O — CID 130230501

IUPAC1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=C1CCC(c2ccc(CN3CCCc4cc(C(N)=O)ccc43)cc2)N1
InChIInChI=1S/C22H25N3O/c1-15-4-10-20(24-15)17-7-5-16(6-8-17)14-25-12-2-3-18-13-19(22(23)26)9-11-21(18)25/h5-9,11,13,20,24H,1-4,10,12,14H2,(H2,23,26)
InChIKeyIMPGTUUGXGNZRK-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.68
Rot. Bonds4

About 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 130230501) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID130230501
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=C1CCC(c2ccc(CN3CCCc4cc(C(N)=O)ccc43)cc2)N1
InChIInChI=1S/C22H25N3O/c1-15-4-10-20(24-15)17-7-5-16(6-8-17)14-25-12-2-3-18-13-19(22(23)26)9-11-21(18)25/h5-9,11,13,20,24H,1-4,10,12,14H2,(H2,23,26)
InChIKeyIMPGTUUGXGNZRK-UHFFFAOYSA-N
XLogP3.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
4-[[5-[(3,3-dimethylbutylamino)methyl]-2,3-dihydroindol-1-yl]methyl]benzamide
CID 11199378
4-[[6-(1,3-diiminopropan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 123808114
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea
CID 19787321
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123558002
1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 53321111
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 130230501) is 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is C=C1CCC(c2ccc(CN3CCCc4cc(C(N)=O)ccc43)cc2)N1.
What is the InChIKey of 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is IMPGTUUGXGNZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-4-10-20(24-15)17-7-5-16(6-8-17)14-25-12-2-3-18-13-19(22(23)26)9-11-21(18)25/h5-9,11,13,20,24H,1-4,10,12,14H2,(H2,23,26).
What are the key properties of 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 130230501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).