N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide

C25H25N3O3 — CID 21093025

IUPACN-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccn3)C[C@H]2C)c1
InChIInChI=1S/C25H25N3O3/c1-17-15-23(28(18(2)29)24-13-6-7-14-26-24)21-11-4-5-12-22(21)27(17)25(30)19-9-8-10-20(16-19)31-3/h4-14,16-17,23H,15H2,1-3H3/t17-,23+/m1/s1
InChIKeyAISPJWUCNGWVOE-HXOBKFHXSA-N
MW415.49 g/mol
LogP4.62
Rot. Bonds4

About N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide

N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide (PubChem CID 21093025) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
PubChem CID21093025
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccn3)C[C@H]2C)c1
InChIInChI=1S/C25H25N3O3/c1-17-15-23(28(18(2)29)24-13-6-7-14-26-24)21-11-4-5-12-22(21)27(17)25(30)19-9-8-10-20(16-19)31-3/h4-14,16-17,23H,15H2,1-3H3/t17-,23+/m1/s1
InChIKeyAISPJWUCNGWVOE-HXOBKFHXSA-N
XLogP4.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-N-[1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859722
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
N-[(2R,4S)-6-chloro-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 21093186
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 68918793
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 59987557
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide (CID 21093025) is N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide is COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(C)=O)c3ccccn3)C[C@H]2C)c1.
What is the InChIKey of N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide?
The InChIKey is AISPJWUCNGWVOE-HXOBKFHXSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-15-23(28(18(2)29)24-13-6-7-14-26-24)21-11-4-5-12-22(21)27(17)25(30)19-9-8-10-20(16-19)31-3/h4-14,16-17,23H,15H2,1-3H3/t17-,23+/m1/s1.
What are the key properties of N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide?
N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide has a molecular weight of 415.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 21093025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).