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

C21H20N2O3 — CID 129165525

IUPAC7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1cccc(Oc3ccccc3)c1)C2
InChIInChI=1S/C21H20N2O3/c24-20-12-17-14-22(9-10-23(17)15-21(20)25)13-16-5-4-8-19(11-16)26-18-6-2-1-3-7-18/h1-8,11-12,15,25H,9-10,13-14H2
InChIKeyJDNBVATWSMNQNO-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.36
Rot. Bonds4

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

7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165525) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165525
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1cccc(Oc3ccccc3)c1)C2
InChIInChI=1S/C21H20N2O3/c24-20-12-17-14-22(9-10-23(17)15-21(20)25)13-16-5-4-8-19(11-16)26-18-6-2-1-3-7-18/h1-8,11-12,15,25H,9-10,13-14H2
InChIKeyJDNBVATWSMNQNO-UHFFFAOYSA-N
XLogP3.36
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
2-[(4-tert-butylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165346
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-(2,3-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazine;oxalic acid
CID 163327642
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazol-1-ylmethanone
CID 155558286
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
4-[[3-(3,5-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760368
4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 67151233
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165525) is 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(Cc1cccc(Oc3ccccc3)c1)C2.
What is the InChIKey of 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is JDNBVATWSMNQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20-12-17-14-22(9-10-23(17)15-21(20)25)13-16-5-4-8-19(11-16)26-18-6-2-1-3-7-18/h1-8,11-12,15,25H,9-10,13-14H2.
What are the key properties of 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 348.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).