2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane

C18H21NO2 — CID 142258421

IUPAC2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane
SMILESCC.COc1ccc2c(=O)cc(C3=CCCC=C3)[nH]c2c1
InChIInChI=1S/C16H15NO2.C2H6/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-2/h3,5-10H,2,4H2,1H3,(H,17,18);1-2H3
InChIKeyCXZSFHBYZNJDHV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.30
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane

2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane (PubChem CID 142258421) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane
PubChem CID142258421
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane
SMILESCC.COc1ccc2c(=O)cc(C3=CCCC=C3)[nH]c2c1
InChIInChI=1S/C16H15NO2.C2H6/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-2/h3,5-10H,2,4H2,1H3,(H,17,18);1-2H3
InChIKeyCXZSFHBYZNJDHV-UHFFFAOYSA-N
XLogP4.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-(6-methyl-2-pyridinyl)-1H-quinolin-4-one
CID 23003026
2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
CID 68723516
2-cyclohexa-1,5-dien-1-yl-4,7-dimethoxyquinoline
CID 71108495
7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
CID 143362238
2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-4-one
CID 88978515
CID 87689938
CID 87689938
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
CID 141027507
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 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane (CID 142258421) is 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane is CC.COc1ccc2c(=O)cc(C3=CCCC=C3)[nH]c2c1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane?
The InChIKey is CXZSFHBYZNJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.C2H6/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11;1-2/h3,5-10H,2,4H2,1H3,(H,17,18);1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane?
2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane has a molecular weight of 283.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-7-methoxy-1H-quinolin-4-one;ethane is sourced from PubChem (CID 142258421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).