N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine

C16H21N3S — CID 64906743

IUPACN-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ncnc3ccccc23)C1C
InChIInChI=1S/C16H21N3S/c1-3-17-13-8-9-15(11(13)2)20-16-12-6-4-5-7-14(12)18-10-19-16/h4-7,10-11,13,15,17H,3,8-9H2,1-2H3
InChIKeyFMTOXMCVECLPGS-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.50
Rot. Bonds4

About N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine

N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine (PubChem CID 64906743) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine
PubChem CID64906743
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2ncnc3ccccc23)C1C
InChIInChI=1S/C16H21N3S/c1-3-17-13-8-9-15(11(13)2)20-16-12-6-4-5-7-14(12)18-10-19-16/h4-7,10-11,13,15,17H,3,8-9H2,1-2H3
InChIKeyFMTOXMCVECLPGS-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
N-(1,1-dioxothiolan-3-yl)-2-quinazolin-4-ylthioacetamide
CID 4367484
4-((3-Methylbenzyl)thio)quinazoline
CID 7117226
4-Benzylthioquinazoline
CID 248346
N-(3-hydroxypropyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 2141449
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-butyl-acetamide
CID 3221474
1-(Pyrrolidin-1-yl)-2-(quinazolin-4-ylthio)ethanone
CID 4551247
4-[(4-Fluorophenyl)methylsulfanyl]quinazoline
CID 6710525
N-cyclopentyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 16303321
N-phenyl-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 155515046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine (CID 64906743) is N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine is CCNC1CCC(Sc2ncnc3ccccc23)C1C.
What is the InChIKey of N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The InChIKey is FMTOXMCVECLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-17-13-8-9-15(11(13)2)20-16-12-6-4-5-7-14(12)18-10-19-16/h4-7,10-11,13,15,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine?
N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 64906743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).