N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine

C19H20N4OS — CID 164876668

IUPACN-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
SMILESCc1cccnc1SNc1c(N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C19H20N4OS/c1-14-4-2-9-21-19(14)25-22-18-16(23-10-12-24-13-11-23)7-6-15-5-3-8-20-17(15)18/h2-9,22H,10-13H2,1H3
InChIKeyJVDRMZGFZAPIBF-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.89
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine

N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine (PubChem CID 164876668) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
PubChem CID164876668
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine
SMILESCc1cccnc1SNc1c(N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C19H20N4OS/c1-14-4-2-9-21-19(14)25-22-18-16(23-10-12-24-13-11-23)7-6-15-5-3-8-20-17(15)18/h2-9,22H,10-13H2,1H3
InChIKeyJVDRMZGFZAPIBF-UHFFFAOYSA-N
XLogP3.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine (CID 164876668) is N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine is Cc1cccnc1SNc1c(N2CCOCC2)ccc2cccnc12.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine?
The InChIKey is JVDRMZGFZAPIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14-4-2-9-21-19(14)25-22-18-16(23-10-12-24-13-11-23)7-6-15-5-3-8-20-17(15)18/h2-9,22H,10-13H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine?
N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine has a molecular weight of 352.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)sulfanyl]-7-morpholin-4-ylquinolin-8-amine is sourced from PubChem (CID 164876668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).