(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide

C16H23N3O2 — CID 58615250

IUPAC(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
SMILESCC(C)C[C@@H](NCc1ccc2c(c1)CCC(=O)N2)C(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(2)7-14(16(17)21)18-9-11-3-5-13-12(8-11)4-6-15(20)19-13/h3,5,8,10,14,18H,4,6-7,9H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m1/s1
InChIKeyKNDKRVSIROWWKK-CQSZACIVSA-N
MW289.38 g/mol
LogP1.56
Rot. Bonds6

About (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide

(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide (PubChem CID 58615250) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
PubChem CID58615250
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
SMILESCC(C)C[C@@H](NCc1ccc2c(c1)CCC(=O)N2)C(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(2)7-14(16(17)21)18-9-11-3-5-13-12(8-11)4-6-15(20)19-13/h3,5,8,10,14,18H,4,6-7,9H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m1/s1
InChIKeyKNDKRVSIROWWKK-CQSZACIVSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-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

6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
2-(ethylamino)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 63038955
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 82479600
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide?
The IUPAC name of (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide (CID 58615250) is (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide?
The canonical SMILES for (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide is CC(C)C[C@@H](NCc1ccc2c(c1)CCC(=O)N2)C(N)=O.
What is the InChIKey of (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide?
The InChIKey is KNDKRVSIROWWKK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)7-14(16(17)21)18-9-11-3-5-13-12(8-11)4-6-15(20)19-13/h3,5,8,10,14,18H,4,6-7,9H2,1-2H3,(H2,17,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide?
(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide has a molecular weight of 289.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide is sourced from PubChem (CID 58615250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).