(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide

C14H18N4O — CID 61179769

IUPAC(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-9(2)7-11(15)14(19)18-10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8-9,11H,7,15H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyVMNVKOHSTOKWKT-NSHDSACASA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide

(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide (PubChem CID 61179769) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
PubChem CID61179769
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-9(2)7-11(15)14(19)18-10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8-9,11H,7,15H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyVMNVKOHSTOKWKT-NSHDSACASA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide (CID 61179769) is (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide?
The InChIKey is VMNVKOHSTOKWKT-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)7-11(15)14(19)18-10-3-4-12-13(8-10)17-6-5-16-12/h3-6,8-9,11H,7,15H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide?
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide is sourced from PubChem (CID 61179769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).