3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one

C18H18N2O — CID 22299740

IUPAC3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1cccc(C(N)c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C18H18N2O/c1-11-4-3-5-13(8-11)17(19)15-10-14-9-12(2)6-7-16(14)20-18(15)21/h3-10,17H,19H2,1-2H3,(H,20,21)
InChIKeyPPQIWHBRVGENJA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.19
Rot. Bonds2

About 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one

3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 22299740) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID22299740
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1cccc(C(N)c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C18H18N2O/c1-11-4-3-5-13(8-11)17(19)15-10-14-9-12(2)6-7-16(14)20-18(15)21/h3-10,17H,19H2,1-2H3,(H,20,21)
InChIKeyPPQIWHBRVGENJA-UHFFFAOYSA-N
XLogP3.19
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
3-[(4-benzhydrylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3187003
2-[amino-(3-methylphenyl)methyl]aniline
CID 118675282
6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
CID 931634
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237
(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one (CID 22299740) is 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one is Cc1cccc(C(N)c2cc3cc(C)ccc3[nH]c2=O)c1.
What is the InChIKey of 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is PPQIWHBRVGENJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-4-3-5-13(8-11)17(19)15-10-14-9-12(2)6-7-16(14)20-18(15)21/h3-10,17H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one?
3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 22299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).