1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one

C14H20N2OS — CID 115895572

IUPAC1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
SMILESCSC(C)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2OS/c1-10(18-3)9-15-12-8-14(17)16(2)13-7-5-4-6-11(12)13/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyJNWNNKCSUIPMJG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds4

About 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one

1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one (PubChem CID 115895572) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
PubChem CID115895572
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
SMILESCSC(C)CNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2OS/c1-10(18-3)9-15-12-8-14(17)16(2)13-7-5-4-6-11(12)13/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyJNWNNKCSUIPMJG-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43776299
4-(2-ethylbutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115718008
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
CID 63981224
1-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-3,4-dihydroquinolin-2-one
CID 103903270
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 103784381
1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one
CID 43771415
4-(cyclobutylmethylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 43775263
1-methyl-4-(pentan-3-ylamino)-3,4-dihydroquinolin-2-one
CID 43756603
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
CID 83110177

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one (CID 115895572) is 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one is CSC(C)CNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is JNWNNKCSUIPMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(18-3)9-15-12-8-14(17)16(2)13-7-5-4-6-11(12)13/h4-7,10,12,15H,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).