N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine

C18H19N5OS — CID 164876844

IUPACN-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine
SMILESCc1nccnc1SNc1ccc(N2CCOCC2)c2cccnc12
InChIInChI=1S/C18H19N5OS/c1-13-18(21-8-7-19-13)25-22-15-4-5-16(23-9-11-24-12-10-23)14-3-2-6-20-17(14)15/h2-8,22H,9-12H2,1H3
InChIKeyNGSAPAFMNFUEEQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.29
Rot. Bonds4

About N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine

N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine (PubChem CID 164876844) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine.

Molecular Properties

Compound NameN-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine
PubChem CID164876844
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine
SMILESCc1nccnc1SNc1ccc(N2CCOCC2)c2cccnc12
InChIInChI=1S/C18H19N5OS/c1-13-18(21-8-7-19-13)25-22-15-4-5-16(23-9-11-24-12-10-23)14-3-2-6-20-17(14)15/h2-8,22H,9-12H2,1H3
InChIKeyNGSAPAFMNFUEEQ-UHFFFAOYSA-N
XLogP3.29
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-morpholin-4-ylquinolin-8-yl)amino]sulfanylbenzaldehyde
CID 164876915
N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
CID 164876668
3-(cyclopropylmethyl)-N-(5-morpholin-4-ylquinolin-8-yl)imidazole-4-sulfonamide
CID 164876819
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
4-[8-(2,3-dichlorophenyl)quinolin-4-yl]morpholine
CID 177306151
N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 169225092
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
CID 156651806
N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide
CID 112812647
1-(2-morpholin-4-ylphenyl)-3-quinolin-8-ylurea
CID 108992558
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
5-N-morpholin-4-ylquinoline-5,8-diamine
CID 83004132

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine?
The IUPAC name of N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine (CID 164876844) is N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine.
What is the SMILES notation for N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine?
The canonical SMILES for N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine is Cc1nccnc1SNc1ccc(N2CCOCC2)c2cccnc12.
What is the InChIKey of N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine?
The InChIKey is NGSAPAFMNFUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-18(21-8-7-19-13)25-22-15-4-5-16(23-9-11-24-12-10-23)14-3-2-6-20-17(14)15/h2-8,22H,9-12H2,1H3.
What are the key properties of N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine?
N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine has a molecular weight of 353.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrazin-2-yl)sulfanyl-5-morpholin-4-ylquinolin-8-amine is sourced from PubChem (CID 164876844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).