2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine

C24H23N3OS — CID 20963212

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCc3ccc(SC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H23N3OS/c1-28-19-11-9-18(10-12-19)23-26-22-6-4-3-5-21(22)24(27-23)25-16-15-17-7-13-20(29-2)14-8-17/h3-14H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyWKSIRRFYCXYISE-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.68
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine

2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine (PubChem CID 20963212) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
PubChem CID20963212
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCc3ccc(SC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H23N3OS/c1-28-19-11-9-18(10-12-19)23-26-22-6-4-3-5-21(22)24(27-23)25-16-15-17-7-13-20(29-2)14-8-17/h3-14H,15-16H2,1-2H3,(H,25,26,27)
InChIKeyWKSIRRFYCXYISE-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004071
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
CID 171356984
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine (CID 20963212) is 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine is COc1ccc(-c2nc(NCCc3ccc(SC)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is WKSIRRFYCXYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-28-19-11-9-18(10-12-19)23-26-22-6-4-3-5-21(22)24(27-23)25-16-15-17-7-13-20(29-2)14-8-17/h3-14H,15-16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine?
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 20963212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).