4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine

C15H13N3OS — CID 62113305

IUPAC4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3OS/c16-13-9-17-7-5-15(13)20(19)10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2
InChIKeyFSQCQEYBSGRJOZ-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.52
Rot. Bonds3

About 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine

4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine (PubChem CID 62113305) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
PubChem CID62113305
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/C15H13N3OS/c16-13-9-17-7-5-15(13)20(19)10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2
InChIKeyFSQCQEYBSGRJOZ-UHFFFAOYSA-N
XLogP2.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
CID 102878475
3-(quinolin-6-ylmethylsulfinyl)butan-1-amine
CID 81194035
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The IUPAC name of 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine (CID 62113305) is 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine is Nc1cnccc1S(=O)Cc1ccc2ncccc2c1.
What is the InChIKey of 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
The InChIKey is FSQCQEYBSGRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-13-9-17-7-5-15(13)20(19)10-11-3-4-14-12(8-11)2-1-6-18-14/h1-9H,10,16H2.
What are the key properties of 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine?
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine has a molecular weight of 283.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 62113305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).