(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide

C19H22N4O2 — CID 100742854

IUPAC(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide
SMILESCC(C)Cn1ccnc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O
InChIInChI=1S/C19H22N4O2/c1-13(2)12-22-11-9-20-19(22)21-17(24)14(3)23-10-8-15-6-4-5-7-16(15)18(23)25/h4-11,13-14H,12H2,1-3H3,(H,20,21,24)/t14-/m0/s1
InChIKeySAVKNUFUWCJEMF-AWEZNQCLSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds5

About (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide

(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide (PubChem CID 100742854) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide
PubChem CID100742854
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide
SMILESCC(C)Cn1ccnc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O
InChIInChI=1S/C19H22N4O2/c1-13(2)12-22-11-9-20-19(22)21-17(24)14(3)23-10-8-15-6-4-5-7-16(15)18(23)25/h4-11,13-14H,12H2,1-3H3,(H,20,21,24)/t14-/m0/s1
InChIKeySAVKNUFUWCJEMF-AWEZNQCLSA-N
XLogP3.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(2R)-2-(1-oxoisoquinolin-2-yl)propanoyl]amino]benzamide
CID 124883731
2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
CID 49495931
(2R)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742903
6-amino-N-[1-(2-methylpropyl)imidazol-2-yl]pyridine-2-carboxamide;hydrochloride
CID 119999079
2-[2-(1-oxoisoquinolin-2-yl)propanoylamino]cyclohexane-1-carboxamide
CID 154737395
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-hydroxy-1-[2-(1-oxoisoquinolin-2-yl)propanoyl]azetidine-3-carboxamide
CID 166265827
2-(1-oxoisoquinolin-2-yl)propanenitrile
CID 13210714
7-amino-N-[1-(2-methylpropyl)imidazol-2-yl]heptanamide;hydrochloride
CID 119762492
3-methyl-2-(1-oxoisoquinolin-2-yl)butanoic acid
CID 82151708
4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
CID 119762499
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide?
The IUPAC name of (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide (CID 100742854) is (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide?
The canonical SMILES for (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide is CC(C)Cn1ccnc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O.
What is the InChIKey of (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide?
The InChIKey is SAVKNUFUWCJEMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)12-22-11-9-20-19(22)21-17(24)14(3)23-10-8-15-6-4-5-7-16(15)18(23)25/h4-11,13-14H,12H2,1-3H3,(H,20,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide?
(2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2-(1-oxoisoquinolin-2-yl)propanamide is sourced from PubChem (CID 100742854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).