7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C19H22N2O2 — CID 129165313

IUPAC7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(C1CCCCc3ccccc31)C2
InChIInChI=1S/C19H22N2O2/c22-18-11-15-12-21(10-9-20(15)13-19(18)23)17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,11,13,17,23H,2,4,6,8-10,12H2
InChIKeyFZWILPWIMSGTRH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.84
Rot. Bonds1

About 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165313) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165313
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(C1CCCCc3ccccc31)C2
InChIInChI=1S/C19H22N2O2/c22-18-11-15-12-21(10-9-20(15)13-19(18)23)17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,11,13,17,23H,2,4,6,8-10,12H2
InChIKeyFZWILPWIMSGTRH-UHFFFAOYSA-N
XLogP2.84
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165313) is 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(C1CCCCc3ccccc31)C2.
What is the InChIKey of 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is FZWILPWIMSGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-11-15-12-21(10-9-20(15)13-19(18)23)17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,11,13,17,23H,2,4,6,8-10,12H2.
What are the key properties of 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 310.40 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).