4-(3-phenylmethoxybutylsulfanyl)quinazoline

C19H20N2OS — CID 155949417

IUPAC4-(3-phenylmethoxybutylsulfanyl)quinazoline
SMILESCC(CCSc1ncnc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(22-13-16-7-3-2-4-8-16)11-12-23-19-17-9-5-6-10-18(17)20-14-21-19/h2-10,14-15H,11-13H2,1H3
InChIKeyJNNAXDUCLKQYQG-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.72
Rot. Bonds7

About 4-(3-phenylmethoxybutylsulfanyl)quinazoline

4-(3-phenylmethoxybutylsulfanyl)quinazoline (PubChem CID 155949417) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-phenylmethoxybutylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(3-phenylmethoxybutylsulfanyl)quinazoline
PubChem CID155949417
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(3-phenylmethoxybutylsulfanyl)quinazoline
SMILESCC(CCSc1ncnc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(22-13-16-7-3-2-4-8-16)11-12-23-19-17-9-5-6-10-18(17)20-14-21-19/h2-10,14-15H,11-13H2,1H3
InChIKeyJNNAXDUCLKQYQG-UHFFFAOYSA-N
XLogP4.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
CID 64633462
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
CID 78900458
4-[(4-methylphenyl)methylsulfanyl]quinazoline
CID 2377234
2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine
CID 62577011

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxybutylsulfanyl)quinazoline?
The IUPAC name of 4-(3-phenylmethoxybutylsulfanyl)quinazoline (CID 155949417) is 4-(3-phenylmethoxybutylsulfanyl)quinazoline.
What is the SMILES notation for 4-(3-phenylmethoxybutylsulfanyl)quinazoline?
The canonical SMILES for 4-(3-phenylmethoxybutylsulfanyl)quinazoline is CC(CCSc1ncnc2ccccc12)OCc1ccccc1.
What is the InChIKey of 4-(3-phenylmethoxybutylsulfanyl)quinazoline?
The InChIKey is JNNAXDUCLKQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(22-13-16-7-3-2-4-8-16)11-12-23-19-17-9-5-6-10-18(17)20-14-21-19/h2-10,14-15H,11-13H2,1H3.
What are the key properties of 4-(3-phenylmethoxybutylsulfanyl)quinazoline?
4-(3-phenylmethoxybutylsulfanyl)quinazoline has a molecular weight of 324.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxybutylsulfanyl)quinazoline is sourced from PubChem (CID 155949417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).