3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide

C20H21N3O — CID 131961761

IUPAC3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide
SMILESCN(Cc1ccc2ccccc2n1)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(19(13-20(21)24)16-8-3-2-4-9-16)14-17-12-11-15-7-5-6-10-18(15)22-17/h2-12,19H,13-14H2,1H3,(H2,21,24)
InChIKeyWFBHBPBFGOAYIX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.28
Rot. Bonds6

About 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide

3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide (PubChem CID 131961761) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide
PubChem CID131961761
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide
SMILESCN(Cc1ccc2ccccc2n1)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23(19(13-20(21)24)16-8-3-2-4-9-16)14-17-12-11-15-7-5-6-10-18(15)22-17/h2-12,19H,13-14H2,1H3,(H2,21,24)
InChIKeyWFBHBPBFGOAYIX-UHFFFAOYSA-N
XLogP3.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
(2S)-2-[[methyl(quinolin-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 54394552
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide?
The IUPAC name of 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide (CID 131961761) is 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide.
What is the SMILES notation for 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide?
The canonical SMILES for 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide is CN(Cc1ccc2ccccc2n1)C(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide?
The InChIKey is WFBHBPBFGOAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(19(13-20(21)24)16-8-3-2-4-9-16)14-17-12-11-15-7-5-6-10-18(15)22-17/h2-12,19H,13-14H2,1H3,(H2,21,24).
What are the key properties of 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide?
3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(quinolin-2-ylmethyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 131961761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).