[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

C22H26N2O — CID 42929862

IUPAC[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26N2O/c1-17-8-11-19-6-2-3-7-21(19)24(17)16-18-9-12-20(13-10-18)22(25)23-14-4-5-15-23/h2-3,6-7,9-10,12-13,17H,4-5,8,11,14-16H2,1H3
InChIKeyYURBRFBNUYKMBH-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.26
Rot. Bonds3

About [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 42929862) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID42929862
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H26N2O/c1-17-8-11-19-6-2-3-7-21(19)24(17)16-18-9-12-20(13-10-18)22(25)23-14-4-5-15-23/h2-3,6-7,9-10,12-13,17H,4-5,8,11,14-16H2,1H3
InChIKeyYURBRFBNUYKMBH-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
N-[1-benzyl-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]benzenesulfonamide
CID 90807408
5-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273459
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
CID 19787308
1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63464174
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 42929862) is [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is CC1CCc2ccccc2N1Cc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YURBRFBNUYKMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17-8-11-19-6-2-3-7-21(19)24(17)16-18-9-12-20(13-10-18)22(25)23-14-4-5-15-23/h2-3,6-7,9-10,12-13,17H,4-5,8,11,14-16H2,1H3.
What are the key properties of [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42929862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).