3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one

C19H29NO — CID 135128698

IUPAC3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
SMILESCC(C)/C=C/CCCCC1NC2=CCCC=C2C(=O)C1C
InChIInChI=1S/C19H29NO/c1-14(2)10-6-4-5-7-12-17-15(3)19(21)16-11-8-9-13-18(16)20-17/h6,10-11,13-15,17,20H,4-5,7-9,12H2,1-3H3/b10-6+
InChIKeyYYZHMKQAOQBYHH-UXBLZVDNSA-N
MW287.45 g/mol
LogP4.54
Rot. Bonds6

About 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one

3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one (PubChem CID 135128698) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
PubChem CID135128698
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
SMILESCC(C)/C=C/CCCCC1NC2=CCCC=C2C(=O)C1C
InChIInChI=1S/C19H29NO/c1-14(2)10-6-4-5-7-12-17-15(3)19(21)16-11-8-9-13-18(16)20-17/h6,10-11,13-15,17,20H,4-5,7-9,12H2,1-3H3/b10-6+
InChIKeyYYZHMKQAOQBYHH-UXBLZVDNSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
2,2-Dimethyl-8-azachromanone
CID 145994940
1-(6-Azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036866
(4aS,10aS)-2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 18601387
2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 20250045
2,3,4,4a,5,6,6a,10-octahydro-1H-benzo[f]quinolin-7-one
CID 57245659
(1R,10S)-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
CID 58433015
2,3,4,4a,5,6a-hexahydro-1H-benzo[f]quinolin-6-one
CID 67747411
1-(9-cyclonon-2-en-1-yl-2,3,4,5,6,9-hexahydro-1H-azonin-8-yl)ethanone
CID 67852304
5,6-Dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
CID 68860986
5-Methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
CID 68861294
4-Prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
CID 70192417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one (CID 135128698) is 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one is CC(C)/C=C/CCCCC1NC2=CCCC=C2C(=O)C1C.
What is the InChIKey of 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
The InChIKey is YYZHMKQAOQBYHH-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)10-6-4-5-7-12-17-15(3)19(21)16-11-8-9-13-18(16)20-17/h6,10-11,13-15,17,20H,4-5,7-9,12H2,1-3H3/b10-6+.
What are the key properties of 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one?
3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one has a molecular weight of 287.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 135128698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).