N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine

C17H15N3S — CID 164876948

IUPACN-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
SMILESc1cnc2c(NSc3ccc(C4CC4)nc3)cccc2c1
InChIInChI=1S/C17H15N3S/c1-3-13-4-2-10-18-17(13)16(5-1)20-21-14-8-9-15(19-11-14)12-6-7-12/h1-5,8-12,20H,6-7H2
InChIKeyHFRZECYTWXDYJF-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.63
Rot. Bonds4

About N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine

N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine (PubChem CID 164876948) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
PubChem CID164876948
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC NameN-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
SMILESc1cnc2c(NSc3ccc(C4CC4)nc3)cccc2c1
InChIInChI=1S/C17H15N3S/c1-3-13-4-2-10-18-17(13)16(5-1)20-21-14-8-9-15(19-11-14)12-6-7-12/h1-5,8-12,20H,6-7H2
InChIKeyHFRZECYTWXDYJF-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.63
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-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
CID 164876762
N-phenylsulfanylquinolin-8-amine
CID 123285595
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
N-[(3-methyl-4-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876681
8-cyclopropylquinoline
CID 66823369
N-(2,3-dihydro-1H-inden-2-yl)quinolin-8-amine
CID 43512766
N-quinolin-8-ylhydroxylamine
CID 22011433
N-(1-cyclopropylethyl)quinolin-8-amine
CID 43191657
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
CID 43637754
6-cyclopropyl-1-propan-2-yl-N-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30845972
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine?
The IUPAC name of N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine (CID 164876948) is N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine.
What is the SMILES notation for N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine?
The canonical SMILES for N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine is c1cnc2c(NSc3ccc(C4CC4)nc3)cccc2c1.
What is the InChIKey of N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine?
The InChIKey is HFRZECYTWXDYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-3-13-4-2-10-18-17(13)16(5-1)20-21-14-8-9-15(19-11-14)12-6-7-12/h1-5,8-12,20H,6-7H2.
What are the key properties of N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine?
N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine has a molecular weight of 293.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine is sourced from PubChem (CID 164876948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).