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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Related Compounds

(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3622129
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
CID 135730971
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674
2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84696464
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 23191611
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
CID 99977936
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841

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).