3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine

C17H17N3S — CID 62778214

IUPAC3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
SMILESNCCC(Sc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17N3S/c18-11-10-16(13-6-2-1-3-7-13)21-17-14-8-4-5-9-15(14)19-12-20-17/h1-9,12,16H,10-11,18H2
InChIKeySLPGWQBRSXHABV-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.81
Rot. Bonds5

About 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine

3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine (PubChem CID 62778214) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
PubChem CID62778214
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
SMILESNCCC(Sc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H17N3S/c18-11-10-16(13-6-2-1-3-7-13)21-17-14-8-4-5-9-15(14)19-12-20-17/h1-9,12,16H,10-11,18H2
InChIKeySLPGWQBRSXHABV-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
2-quinazolin-4-ylsulfanylpentanoic acid
CID 83038001
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
CID 114370350
4-(3-phenylmethoxybutylsulfanyl)quinazoline
CID 155949417
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
CID 107524879
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
methyl 2-quinazolin-4-ylsulfanylhexanoate
CID 115608238
3-amino-4-methoxy-2-quinazolin-4-ylsulfanylbutan-1-ol
CID 114370346

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine?
The IUPAC name of 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine (CID 62778214) is 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine?
The canonical SMILES for 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine is NCCC(Sc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine?
The InChIKey is SLPGWQBRSXHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-11-10-16(13-6-2-1-3-7-13)21-17-14-8-4-5-9-15(14)19-12-20-17/h1-9,12,16H,10-11,18H2.
What are the key properties of 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine?
3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine has a molecular weight of 295.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62778214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).