7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H18N2O2 — CID 129165296

IUPAC7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1ccccc1CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-3-5-13(12)9-17-6-7-18-11-16(20)15(19)8-14(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3
InChIKeyPKFAQFAAQDMRBB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.88
Rot. Bonds2

About 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165296) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165296
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCc1ccccc1CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-3-5-13(12)9-17-6-7-18-11-16(20)15(19)8-14(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3
InChIKeyPKFAQFAAQDMRBB-UHFFFAOYSA-N
XLogP1.88
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-2-methyl-1-(phenylmethyl)-4(1H)-pyridinone
CID 9549917
(4S)-4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 67471613
(4S)-4-benzhydryl-9-hydroxy-2-methyl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 68096633
2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165376
7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165377
2-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165448
2-[(2,6-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165493
2-[(2,6-difluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165494
2-[(7-hydroxy-8-oxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl)methyl]benzonitrile
CID 129165527
2-[(2,4-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165534
2-[(2-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165554
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165556

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165296) is 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is Cc1ccccc1CN1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is PKFAQFAAQDMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-2-3-5-13(12)9-17-6-7-18-11-16(20)15(19)8-14(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3.
What are the key properties of 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 270.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).