5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one

C19H22N4O — CID 72876833

IUPAC5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CNC(C)Cc3cnccn3)[nH]c12
InChIInChI=1S/C19H22N4O/c1-12-4-5-13(2)19-18(12)17(24)9-16(23-19)11-22-14(3)8-15-10-20-6-7-21-15/h4-7,9-10,14,22H,8,11H2,1-3H3,(H,23,24)
InChIKeyLFOXNFJKCBXCIS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.66
Rot. Bonds5

About 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one

5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one (PubChem CID 72876833) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one
PubChem CID72876833
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CNC(C)Cc3cnccn3)[nH]c12
InChIInChI=1S/C19H22N4O/c1-12-4-5-13(2)19-18(12)17(24)9-16(23-19)11-22-14(3)8-15-10-20-6-7-21-15/h4-7,9-10,14,22H,8,11H2,1-3H3,(H,23,24)
InChIKeyLFOXNFJKCBXCIS-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one
CID 97117416
N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 138053102
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
8-fluoro-2-[[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]methyl]-1H-quinolin-4-one
CID 97120313
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91760615
4,6-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrimidin-2-amine
CID 95129567
2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(1-pyrazin-2-ylpropan-2-ylamino)acetamide
CID 50974325
2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72893517
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one?
The IUPAC name of 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one (CID 72876833) is 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one is Cc1ccc(C)c2c(=O)cc(CNC(C)Cc3cnccn3)[nH]c12.
What is the InChIKey of 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one?
The InChIKey is LFOXNFJKCBXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-4-5-13(2)19-18(12)17(24)9-16(23-19)11-22-14(3)8-15-10-20-6-7-21-15/h4-7,9-10,14,22H,8,11H2,1-3H3,(H,23,24).
What are the key properties of 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one?
5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one has a molecular weight of 322.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[(1-pyrazin-2-ylpropan-2-ylamino)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72876833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).