N-(1-oxothian-4-yl)quinolin-4-amine

C14H16N2OS — CID 113480106

IUPACN-(1-oxothian-4-yl)quinolin-4-amine
SMILESO=S1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C14H16N2OS/c17-18-9-6-11(7-10-18)16-14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8,11H,6-7,9-10H2,(H,15,16)
InChIKeyIAGRDXQXCMBZAU-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.56
Rot. Bonds2

About N-(1-oxothian-4-yl)quinolin-4-amine

N-(1-oxothian-4-yl)quinolin-4-amine (PubChem CID 113480106) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)quinolin-4-amine
PubChem CID113480106
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(1-oxothian-4-yl)quinolin-4-amine
SMILESO=S1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C14H16N2OS/c17-18-9-6-11(7-10-18)16-14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8,11H,6-7,9-10H2,(H,15,16)
InChIKeyIAGRDXQXCMBZAU-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-oxothian-4-yl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878
N-[1-(methylsulfanylmethyl)piperidin-4-yl]quinolin-4-amine
CID 123272083
N-(2-chlorocyclohexyl)quinolin-4-amine
CID 65028987
N-(2,3-dimethylcyclopentyl)quinolin-4-amine
CID 64923219
N-(3-cyclopropylcyclohexyl)quinolin-5-amine
CID 64595220
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
1-N-quinolin-5-ylcyclobutane-1,3-diamine
CID 80559006
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936054
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)quinolin-4-amine?
The IUPAC name of N-(1-oxothian-4-yl)quinolin-4-amine (CID 113480106) is N-(1-oxothian-4-yl)quinolin-4-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)quinolin-4-amine?
The canonical SMILES for N-(1-oxothian-4-yl)quinolin-4-amine is O=S1CCC(Nc2ccnc3ccccc23)CC1.
What is the InChIKey of N-(1-oxothian-4-yl)quinolin-4-amine?
The InChIKey is IAGRDXQXCMBZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-18-9-6-11(7-10-18)16-14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8,11H,6-7,9-10H2,(H,15,16).
What are the key properties of N-(1-oxothian-4-yl)quinolin-4-amine?
N-(1-oxothian-4-yl)quinolin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)quinolin-4-amine is sourced from PubChem (CID 113480106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).