(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide

C17H23N3O2 — CID 72887662

IUPAC(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
SMILESCc1ccc2[nH]c(CN[C@@H](CC(C)C)C(N)=O)cc(=O)c2c1
InChIInChI=1S/C17H23N3O2/c1-10(2)6-15(17(18)22)19-9-12-8-16(21)13-7-11(3)4-5-14(13)20-12/h4-5,7-8,10,15,19H,6,9H2,1-3H3,(H2,18,22)(H,20,21)/t15-/m0/s1
InChIKeyIJHVSUFVRUQAJK-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.83
Rot. Bonds6

About (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide

(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide (PubChem CID 72887662) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
PubChem CID72887662
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
SMILESCc1ccc2[nH]c(CN[C@@H](CC(C)C)C(N)=O)cc(=O)c2c1
InChIInChI=1S/C17H23N3O2/c1-10(2)6-15(17(18)22)19-9-12-8-16(21)13-7-11(3)4-5-14(13)20-12/h4-5,7-8,10,15,19H,6,9H2,1-3H3,(H2,18,22)(H,20,21)/t15-/m0/s1
InChIKeyIJHVSUFVRUQAJK-HNNXBMFYSA-N
XLogP1.83
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide 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

2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 22580168
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46355611
ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
CID 145241790
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
(2S)-2-[(2,5-dimethylphenyl)methylamino]-4-methylpentanoic acid
CID 120510814
(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
CID 58615250
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one
CID 72877701
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
(2R)-2-[(2-bromo-4-methylphenyl)methylamino]-4-methylpentanoic acid
CID 120511341

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide (CID 72887662) is (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide is Cc1ccc2[nH]c(CN[C@@H](CC(C)C)C(N)=O)cc(=O)c2c1.
What is the InChIKey of (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide?
The InChIKey is IJHVSUFVRUQAJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10(2)6-15(17(18)22)19-9-12-8-16(21)13-7-11(3)4-5-14(13)20-12/h4-5,7-8,10,15,19H,6,9H2,1-3H3,(H2,18,22)(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide?
(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide has a molecular weight of 301.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide is sourced from PubChem (CID 72887662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).