N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine

C15H13N3S — CID 164876681

IUPACN-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
SMILESCc1cnccc1SNc1cccc2cccnc12
InChIInChI=1S/C15H13N3S/c1-11-10-16-9-7-14(11)19-18-13-6-2-4-12-5-3-8-17-15(12)13/h2-10,18H,1H3
InChIKeyYYTSLHMIBRPSTQ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.06
Rot. Bonds3

About N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine

N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine (PubChem CID 164876681) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
PubChem CID164876681
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
SMILESCc1cnccc1SNc1cccc2cccnc12
InChIInChI=1S/C15H13N3S/c1-11-10-16-9-7-14(11)19-18-13-6-2-4-12-5-3-8-17-15(12)13/h2-10,18H,1H3
InChIKeyYYTSLHMIBRPSTQ-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylsulfanylquinolin-8-amine
CID 123285595
N-[(3-methyl-2-pyridinyl)sulfanyl]-1,6-naphthyridin-8-amine
CID 164876897
N-quinolin-8-ylhydroxylamine
CID 22011433
N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
CID 164876762
[(3-methyl-4-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105261759
3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
8-methyl-5-quinolin-8-ylisoquinoline
CID 71214016
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
N-methoxyquinolin-8-amine
CID 143696561
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
CID 163693095
N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876948

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine (CID 164876681) is N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine is Cc1cnccc1SNc1cccc2cccnc12.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine?
The InChIKey is YYTSLHMIBRPSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-11-10-16-9-7-14(11)19-18-13-6-2-4-12-5-3-8-17-15(12)13/h2-10,18H,1H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine?
N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine has a molecular weight of 267.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine is sourced from PubChem (CID 164876681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).