(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone

C22H21N3O — CID 2874798

IUPAC(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1
InChIInChI=1S/C22H21N3O/c1-16-15-20(24-18-7-3-2-4-8-18)19-9-5-6-10-21(19)25(16)22(26)17-11-13-23-14-12-17/h2-14,16,20,24H,15H2,1H3
InChIKeyPXQFZJJATBETDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.67
Rot. Bonds3

About (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone

(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone (PubChem CID 2874798) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone
PubChem CID2874798
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1
InChIInChI=1S/C22H21N3O/c1-16-15-20(24-18-7-3-2-4-8-18)19-9-5-6-10-21(19)25(16)22(26)17-11-13-23-14-12-17/h2-14,16,20,24H,15H2,1H3
InChIKeyPXQFZJJATBETDB-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone with MolForge

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Related Compounds

Daporinad
CID 6914657
Baxdrostat
CID 71535962
Niaprazine
CID 71919
Enisamium Iodide
CID 10089466
Tagorizine
CID 6436051
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
Phenatine
CID 120640
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone (CID 2874798) is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone is CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccncc1.
What is the InChIKey of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is PXQFZJJATBETDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-15-20(24-18-7-3-2-4-8-18)19-9-5-6-10-21(19)25(16)22(26)17-11-13-23-14-12-17/h2-14,16,20,24H,15H2,1H3.
What are the key properties of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone?
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 2874798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).