(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C16H17ClN4O — CID 97340632

IUPAC(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(Cl)c2ccc(N3CCN4C(=O)NC[C@@H]4C3)nc12
InChIInChI=1S/C16H17ClN4O/c1-10-2-4-13(17)12-3-5-14(19-15(10)12)20-6-7-21-11(9-20)8-18-16(21)22/h2-5,11H,6-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyNERBHRBLLPCMRX-LLVKDONJSA-N
MW316.79 g/mol
LogP2.41
Rot. Bonds1

About (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 97340632) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID97340632
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(Cl)c2ccc(N3CCN4C(=O)NC[C@@H]4C3)nc12
InChIInChI=1S/C16H17ClN4O/c1-10-2-4-13(17)12-3-5-14(19-15(10)12)20-6-7-21-11(9-20)8-18-16(21)22/h2-5,11H,6-9H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyNERBHRBLLPCMRX-LLVKDONJSA-N
XLogP2.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 75443207
7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092401
(8aR)-7-(6-ethylsulfanylpyrazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 95974307
5-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 114919776
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
7-(2-amino-6-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115550683
7-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137009803
(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
CID 129483234
7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80922945
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80958788
6-methyl-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-3-carbothioamide
CID 79095931
[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 97257203

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 97340632) is (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1ccc(Cl)c2ccc(N3CCN4C(=O)NC[C@@H]4C3)nc12.
What is the InChIKey of (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NERBHRBLLPCMRX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-10-2-4-13(17)12-3-5-14(19-15(10)12)20-6-7-21-11(9-20)8-18-16(21)22/h2-5,11H,6-9H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 316.79 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 97340632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).