8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one

C17H17ClN4O — CID 97117416

IUPAC8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](Cc1cnccn1)NCc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H17ClN4O/c1-11(7-12-9-19-5-6-20-12)21-10-13-8-16(23)14-3-2-4-15(18)17(14)22-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyQWGHNVHVKSTQCN-LLVKDONJSA-N
MW328.80 g/mol
LogP2.69
Rot. Bonds5

About 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one

8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97117416) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one
PubChem CID97117416
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](Cc1cnccn1)NCc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H17ClN4O/c1-11(7-12-9-19-5-6-20-12)21-10-13-8-16(23)14-3-2-4-15(18)17(14)22-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyQWGHNVHVKSTQCN-LLVKDONJSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one (CID 97117416) is 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one is C[C@H](Cc1cnccn1)NCc1cc(=O)c2cccc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is QWGHNVHVKSTQCN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11(7-12-9-19-5-6-20-12)21-10-13-8-16(23)14-3-2-4-15(18)17(14)22-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one?
8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 328.80 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97117416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).