N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine

C22H19N3S — CID 19963153

IUPACN-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccc(CSc4ccccc4)cc23)c1
InChIInChI=1S/C22H19N3S/c1-16-6-5-7-18(12-16)25-22-20-13-17(10-11-21(20)23-15-24-22)14-26-19-8-3-2-4-9-19/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyQUQRGGIZFWJIKA-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.97
Rot. Bonds5

About N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine

N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine (PubChem CID 19963153) has the molecular formula C22H19N3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine
PubChem CID19963153
Molecular FormulaC22H19N3S
Molecular Weight357.48 g/mol
Exact Mass357.13
IUPAC NameN-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccc(CSc4ccccc4)cc23)c1
InChIInChI=1S/C22H19N3S/c1-16-6-5-7-18(12-16)25-22-20-13-17(10-11-21(20)23-15-24-22)14-26-19-8-3-2-4-9-19/h2-13,15H,14H2,1H3,(H,23,24,25)
InChIKeyQUQRGGIZFWJIKA-UHFFFAOYSA-N
XLogP5.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
4-anilinoquinazolin-6-ol;ethane
CID 91520479
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095
N,6-diphenylquinazolin-4-amine
CID 86766666
4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
CID 11270441
7-ethyl-N-(3-methylphenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 20747417
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine?
The IUPAC name of N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine (CID 19963153) is N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine is Cc1cccc(Nc2ncnc3ccc(CSc4ccccc4)cc23)c1.
What is the InChIKey of N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine?
The InChIKey is QUQRGGIZFWJIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3S/c1-16-6-5-7-18(12-16)25-22-20-13-17(10-11-21(20)23-15-24-22)14-26-19-8-3-2-4-9-19/h2-13,15H,14H2,1H3,(H,23,24,25).
What are the key properties of N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine?
N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-(phenylsulfanylmethyl)quinazolin-4-amine is sourced from PubChem (CID 19963153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).