acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one

C19H19NO2 — CID 142895022

IUPACacetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one
SMILESC#C.C=C/C=C(\C=C/C)c1cc(=O)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H17NO2.C2H2/c1-4-6-12(7-5-2)15-11-17(19)14-9-8-13(20-3)10-16(14)18-15;1-2/h4-11H,1H2,2-3H3,(H,18,19);1-2H/b7-5-,12-6+;
InChIKeyQDXATPVGSBFPAU-AOMYCQKGSA-N
MW293.37 g/mol
LogP3.93
Rot. Bonds4

About acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one

acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one (PubChem CID 142895022) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Nameacetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one
PubChem CID142895022
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameacetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one
SMILESC#C.C=C/C=C(\C=C/C)c1cc(=O)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H17NO2.C2H2/c1-4-6-12(7-5-2)15-11-17(19)14-9-8-13(20-3)10-16(14)18-15;1-2/h4-11H,1H2,2-3H3,(H,18,19);1-2H/b7-5-,12-6+;
InChIKeyQDXATPVGSBFPAU-AOMYCQKGSA-N
XLogP3.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one with MolForge

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Related Compounds

2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-7-methyl-1H-quinolin-4-one
CID 143826563
N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
CID 143056148
2-[(Z)-1-amino-2-[1-(propan-2-ylamino)ethenylsulfanyl]ethenyl]-7-methoxy-1H-quinolin-4-one
CID 70305039
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
2-buta-1,3-dien-2-yl-7-methyl-1H-quinolin-4-one
CID 142894990
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
3-methoxy-5H-phenanthridin-6-one
CID 12706603

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one?
The IUPAC name of acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one (CID 142895022) is acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one is C#C.C=C/C=C(\C=C/C)c1cc(=O)c2ccc(OC)cc2[nH]1.
What is the InChIKey of acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one?
The InChIKey is QDXATPVGSBFPAU-AOMYCQKGSA-N. The full InChI is InChI=1S/C17H17NO2.C2H2/c1-4-6-12(7-5-2)15-11-17(19)14-9-8-13(20-3)10-16(14)18-15;1-2/h4-11H,1H2,2-3H3,(H,18,19);1-2H/b7-5-,12-6+;.
What are the key properties of acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one?
acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 142895022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).