2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one

C14H15NO — CID 870380

IUPAC2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one
SMILESC=CCc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C14H15NO/c1-4-5-11-10(3)15-13-7-6-9(2)8-12(13)14(11)16/h4,6-8H,1,5H2,2-3H3,(H,15,16)
InChIKeyBSGSBOSRWALTLH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.87
Rot. Bonds2

About 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one

2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one (PubChem CID 870380) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one
PubChem CID870380
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one
SMILESC=CCc1c(C)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C14H15NO/c1-4-5-11-10(3)15-13-7-6-9(2)8-12(13)14(11)16/h4,6-8H,1,5H2,2-3H3,(H,15,16)
InChIKeyBSGSBOSRWALTLH-UHFFFAOYSA-N
XLogP2.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one?
The IUPAC name of 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one (CID 870380) is 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one?
The canonical SMILES for 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one is C=CCc1c(C)[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one?
The InChIKey is BSGSBOSRWALTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-5-11-10(3)15-13-7-6-9(2)8-12(13)14(11)16/h4,6-8H,1,5H2,2-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one?
2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one has a molecular weight of 213.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-prop-2-enyl-1H-quinolin-4-one is sourced from PubChem (CID 870380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).