6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C22H19N3OS — CID 57260574

IUPAC6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCSc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H19N3OS/c1-27-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyOCEPZXZVPNPKJD-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.67
Rot. Bonds6

About 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 57260574) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID57260574
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCSc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H19N3OS/c1-27-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyOCEPZXZVPNPKJD-UHFFFAOYSA-N
XLogP5.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-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

6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6-[3-(2-methylsulfonylethylamino)propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329486
4-phenylmethoxyaniline;N-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535778
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 22609815
4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 22112855
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 57260574) is 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is CSc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is OCEPZXZVPNPKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-27-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 373.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 57260574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).