2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one

C18H21NO2 — CID 163021250

IUPAC2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one
SMILESCC[C@H](O)/C=C\C=C/CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H21NO2/c1-2-15(20)10-6-4-3-5-9-14-13-18(21)16-11-7-8-12-17(16)19-14/h3-4,6-8,10-13,15,20H,2,5,9H2,1H3,(H,19,21)/b4-3-,10-6-/t15-/m0/s1
InChIKeyUPZZBIGJSKRXQV-YVRXMCHWSA-N
MW283.37 g/mol
LogP3.34
Rot. Bonds6

About 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one

2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one (PubChem CID 163021250) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one
PubChem CID163021250
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one
SMILESCC[C@H](O)/C=C\C=C/CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H21NO2/c1-2-15(20)10-6-4-3-5-9-14-13-18(21)16-11-7-8-12-17(16)19-14/h3-4,6-8,10-13,15,20H,2,5,9H2,1H3,(H,19,21)/b4-3-,10-6-/t15-/m0/s1
InChIKeyUPZZBIGJSKRXQV-YVRXMCHWSA-N
XLogP3.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one (CID 163021250) is 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one is CC[C@H](O)/C=C\C=C/CCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one?
The InChIKey is UPZZBIGJSKRXQV-YVRXMCHWSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-15(20)10-6-4-3-5-9-14-13-18(21)16-11-7-8-12-17(16)19-14/h3-4,6-8,10-13,15,20H,2,5,9H2,1H3,(H,19,21)/b4-3-,10-6-/t15-/m0/s1.
What are the key properties of 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one?
2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one has a molecular weight of 283.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one is sourced from PubChem (CID 163021250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).