3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine

C18H18N2OS — CID 97235078

IUPAC3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H18N2OS/c1-13-11-15-5-3-4-6-17(15)20-18(13)19-12-14-7-9-16(10-8-14)22(2)21/h3-11H,12H2,1-2H3,(H,19,20)/t22-/m0/s1
InChIKeySIDWOGJMPBOFJR-QFIPXVFZSA-N
MW310.42 g/mol
LogP3.89
Rot. Bonds4

About 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine

3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine (PubChem CID 97235078) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
PubChem CID97235078
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H18N2OS/c1-13-11-15-5-3-4-6-17(15)20-18(13)19-12-14-7-9-16(10-8-14)22(2)21/h3-11H,12H2,1-2H3,(H,19,20)/t22-/m0/s1
InChIKeySIDWOGJMPBOFJR-QFIPXVFZSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
CID 65028385
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
CID 63228854
3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
CID 63229105
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
CID 164677719
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine?
The IUPAC name of 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine (CID 97235078) is 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine?
The canonical SMILES for 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine is Cc1cc2ccccc2nc1NCc1ccc([S@](C)=O)cc1.
What is the InChIKey of 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine?
The InChIKey is SIDWOGJMPBOFJR-QFIPXVFZSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-11-15-5-3-4-6-17(15)20-18(13)19-12-14-7-9-16(10-8-14)22(2)21/h3-11H,12H2,1-2H3,(H,19,20)/t22-/m0/s1.
What are the key properties of 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine?
3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine has a molecular weight of 310.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine is sourced from PubChem (CID 97235078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).