6-ethoxy-4-methyl-4aH-quinolin-2-one

C12H13NO2 — CID 76851551

IUPAC6-ethoxy-4-methyl-4aH-quinolin-2-one
SMILESCCOC1=CC2C(C)=CC(=O)N=C2C=C1
InChIInChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7,10H,3H2,1-2H3
InChIKeyPDPLRVIXLXRQQZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.02
Rot. Bonds2

About 6-ethoxy-4-methyl-4aH-quinolin-2-one

6-ethoxy-4-methyl-4aH-quinolin-2-one (PubChem CID 76851551) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-4-methyl-4aH-quinolin-2-one
PubChem CID76851551
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-ethoxy-4-methyl-4aH-quinolin-2-one
SMILESCCOC1=CC2C(C)=CC(=O)N=C2C=C1
InChIInChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7,10H,3H2,1-2H3
InChIKeyPDPLRVIXLXRQQZ-UHFFFAOYSA-N
XLogP2.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
6,7-dimethoxy-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 91668319
5-Ethoxyindol-2-one
CID 23212399
8-Methoxy-1-benzazepin-2-one
CID 57417925
5-Butoxyindol-2-one
CID 70354099
3,9-Dioxa-15-azatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,6,8(13),11,14,17-heptaen-16-one
CID 88218469
Pyrano[3,2-g]quinolin-8-one
CID 91526879
2-methyl-2H-furo[2,3-f]quinolin-7-one
CID 139944555
2H-pyrano[2,3-e]indol-8-one
CID 140976849
7-(4-bromobutoxy)-4aH-quinolin-2-one
CID 45038437
7-(3-bromopropoxy)-4aH-quinolin-2-one
CID 45038463

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-4aH-quinolin-2-one?
The IUPAC name of 6-ethoxy-4-methyl-4aH-quinolin-2-one (CID 76851551) is 6-ethoxy-4-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-4-methyl-4aH-quinolin-2-one?
The canonical SMILES for 6-ethoxy-4-methyl-4aH-quinolin-2-one is CCOC1=CC2C(C)=CC(=O)N=C2C=C1.
What is the InChIKey of 6-ethoxy-4-methyl-4aH-quinolin-2-one?
The InChIKey is PDPLRVIXLXRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7,10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-4-methyl-4aH-quinolin-2-one?
6-ethoxy-4-methyl-4aH-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 76851551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).