2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

C18H19N3OS — CID 69220007

IUPAC2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCSc1nc(NCc2cccc(OC)c2)c2ccccc2n1
InChIInChI=1S/C18H19N3OS/c1-3-23-18-20-16-10-5-4-9-15(16)17(21-18)19-12-13-7-6-8-14(11-13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
InChIKeyONCCNWQYPQJZQA-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.36
Rot. Bonds6

About 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 69220007) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID69220007
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCCSc1nc(NCc2cccc(OC)c2)c2ccccc2n1
InChIInChI=1S/C18H19N3OS/c1-3-23-18-20-16-10-5-4-9-15(16)17(21-18)19-12-13-7-6-8-14(11-13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
InChIKeyONCCNWQYPQJZQA-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-ethylsulfanylquinazolin-4-amine
CID 11653306
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
4-N-(furan-2-ylmethyl)-2-N-[(3-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 154620273
2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 4548366
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
1-benzyl-N-[(3-methoxyphenyl)methyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72721627
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylethanone
CID 4548502
N-butyl-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-amine
CID 3631316
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (CID 69220007) is 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is CCSc1nc(NCc2cccc(OC)c2)c2ccccc2n1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is ONCCNWQYPQJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-23-18-20-16-10-5-4-9-15(16)17(21-18)19-12-13-7-6-8-14(11-13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 69220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).