2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one

C19H20N2O — CID 99977848

IUPAC2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one
SMILESCc1ccc(NCc2c(C)[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C19H20N2O/c1-12-7-9-15(10-8-12)20-11-17-14(3)21-18-13(2)5-4-6-16(18)19(17)22/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyIVPGZZNLDUACNU-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.07
Rot. Bonds3

About 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one

2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one (PubChem CID 99977848) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one
PubChem CID99977848
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one
SMILESCc1ccc(NCc2c(C)[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C19H20N2O/c1-12-7-9-15(10-8-12)20-11-17-14(3)21-18-13(2)5-4-6-16(18)19(17)22/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyIVPGZZNLDUACNU-UHFFFAOYSA-N
XLogP4.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one?
The IUPAC name of 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one (CID 99977848) is 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one is Cc1ccc(NCc2c(C)[nH]c3c(C)cccc3c2=O)cc1.
What is the InChIKey of 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one?
The InChIKey is IVPGZZNLDUACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-7-9-15(10-8-12)20-11-17-14(3)21-18-13(2)5-4-6-16(18)19(17)22/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one?
2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one has a molecular weight of 292.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-[(4-methylanilino)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 99977848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).