[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone

C18H17NO2 — CID 146165113

IUPAC[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone
SMILESC=C(O)N1CCCc2cccc(C(=O)c3ccccc3)c21
InChIInChI=1S/C18H17NO2/c1-13(20)19-12-6-10-14-9-5-11-16(17(14)19)18(21)15-7-3-2-4-8-15/h2-5,7-9,11,20H,1,6,10,12H2
InChIKeyFGSCUCGAFBACEW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds3

About [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone

[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone (PubChem CID 146165113) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone
PubChem CID146165113
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone
SMILESC=C(O)N1CCCc2cccc(C(=O)c3ccccc3)c21
InChIInChI=1S/C18H17NO2/c1-13(20)19-12-6-10-14-9-5-11-16(17(14)19)18(21)15-7-3-2-4-8-15/h2-5,7-9,11,20H,1,6,10,12H2
InChIKeyFGSCUCGAFBACEW-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone?
The IUPAC name of [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone (CID 146165113) is [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone?
The canonical SMILES for [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone is C=C(O)N1CCCc2cccc(C(=O)c3ccccc3)c21.
What is the InChIKey of [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone?
The InChIKey is FGSCUCGAFBACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(20)19-12-6-10-14-9-5-11-16(17(14)19)18(21)15-7-3-2-4-8-15/h2-5,7-9,11,20H,1,6,10,12H2.
What are the key properties of [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone?
[1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-hydroxyethenyl)-3,4-dihydro-2H-quinolin-8-yl]-phenylmethanone is sourced from PubChem (CID 146165113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).