N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine

C18H16N2S — CID 43192381

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
SMILESc1ccc2c(c1)SCCC2Nc1cccc2ncccc12
InChIInChI=1S/C18H16N2S/c1-2-9-18-14(5-1)17(10-12-21-18)20-16-8-3-7-15-13(16)6-4-11-19-15/h1-9,11,17,20H,10,12H2
InChIKeyPEWFZXPMLBVCJR-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.88
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine (PubChem CID 43192381) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
PubChem CID43192381
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
SMILESc1ccc2c(c1)SCCC2Nc1cccc2ncccc12
InChIInChI=1S/C18H16N2S/c1-2-9-18-14(5-1)17(10-12-21-18)20-16-8-3-7-15-13(16)6-4-11-19-15/h1-9,11,17,20H,10,12H2
InChIKeyPEWFZXPMLBVCJR-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 107630252
N-(thian-3-yl)quinolin-5-amine
CID 62873049
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
CID 81234819
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(3-cyclopropylcyclohexyl)quinolin-5-amine
CID 64595220
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
1-N-quinolin-5-ylcyclobutane-1,3-diamine
CID 80559006
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
N-(2,5-dichloro-4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104726014

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine (CID 43192381) is N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine is c1ccc2c(c1)SCCC2Nc1cccc2ncccc12.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine?
The InChIKey is PEWFZXPMLBVCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-2-9-18-14(5-1)17(10-12-21-18)20-16-8-3-7-15-13(16)6-4-11-19-15/h1-9,11,17,20H,10,12H2.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine has a molecular weight of 292.41 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine is sourced from PubChem (CID 43192381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).