3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal

C15H18N2O2 — CID 59828315

IUPAC3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal
SMILESCc1cn(N(C)C)c2ccc(CCC=O)cc2c1=O
InChIInChI=1S/C15H18N2O2/c1-11-10-17(16(2)3)14-7-6-12(5-4-8-18)9-13(14)15(11)19/h6-10H,4-5H2,1-3H3
InChIKeyKYQFDBWHOCAEIJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.64
Rot. Bonds4

About 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal

3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal (PubChem CID 59828315) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal.

Molecular Properties

Compound Name3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal
PubChem CID59828315
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal
SMILESCc1cn(N(C)C)c2ccc(CCC=O)cc2c1=O
InChIInChI=1S/C15H18N2O2/c1-11-10-17(16(2)3)14-7-6-12(5-4-8-18)9-13(14)15(11)19/h6-10H,4-5H2,1-3H3
InChIKeyKYQFDBWHOCAEIJ-UHFFFAOYSA-N
XLogP1.64
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal?
The IUPAC name of 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal (CID 59828315) is 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal.
What is the SMILES notation for 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal?
The canonical SMILES for 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal is Cc1cn(N(C)C)c2ccc(CCC=O)cc2c1=O.
What is the InChIKey of 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal?
The InChIKey is KYQFDBWHOCAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-10-17(16(2)3)14-7-6-12(5-4-8-18)9-13(14)15(11)19/h6-10H,4-5H2,1-3H3.
What are the key properties of 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal?
3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal has a molecular weight of 258.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal is sourced from PubChem (CID 59828315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).