2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane

C18H26N2O — CID 145320348

IUPAC2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane
SMILESCC.CC1Cn2ccc(=O)cc2CN1CC1=CC=CCC1
InChIInChI=1S/C16H20N2O.C2H6/c1-13-10-17-8-7-16(19)9-15(17)12-18(13)11-14-5-3-2-4-6-14;1-2/h2-3,5,7-9,13H,4,6,10-12H2,1H3;1-2H3
InChIKeyGFSCTTWXNMXFBB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds2

About 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane

2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane (PubChem CID 145320348) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane.

Molecular Properties

Compound Name2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane
PubChem CID145320348
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane
SMILESCC.CC1Cn2ccc(=O)cc2CN1CC1=CC=CCC1
InChIInChI=1S/C16H20N2O.C2H6/c1-13-10-17-8-7-16(19)9-15(17)12-18(13)11-14-5-3-2-4-6-14;1-2/h2-3,5,7-9,13H,4,6,10-12H2,1H3;1-2H3
InChIKeyGFSCTTWXNMXFBB-UHFFFAOYSA-N
XLogP3.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088
1-methyl-9-(1-piperidin-1-ylpropan-2-yl)-2H-pyrido[3,4-b]indol-7-one
CID 90460250
1-methyl-9-(2-piperidin-1-ylethyl)-2H-pyrido[3,4-b]indol-7-one
CID 90461802
1-methyl-9-(2-piperidin-1-ylpropyl)-2H-pyrido[3,4-b]indol-7-one
CID 90462797
(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
CID 129066262
1-[1-[(Z)-hex-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-yl]-2-piperidin-1-ylethanone
CID 134292245
2-[(Z,3E)-6-chloro-3-ethylidenehex-4-en-2-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 145320368
2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 145320375
3-[(Z,2Z)-2-ethylidenehex-3-enyl]-9-methyl-1-methylidene-8-oxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carbaldehyde
CID 156349529
ethane;(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
CID 158141018
2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 166726008

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane?
The IUPAC name of 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane (CID 145320348) is 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane.
What is the SMILES notation for 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane?
The canonical SMILES for 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane is CC.CC1Cn2ccc(=O)cc2CN1CC1=CC=CCC1.
What is the InChIKey of 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane?
The InChIKey is GFSCTTWXNMXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C2H6/c1-13-10-17-8-7-16(19)9-15(17)12-18(13)11-14-5-3-2-4-6-14;1-2/h2-3,5,7-9,13H,4,6,10-12H2,1H3;1-2H3.
What are the key properties of 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane?
2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane has a molecular weight of 286.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane is sourced from PubChem (CID 145320348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).