2-(4-methoxyphenyl)sulfanylquinazoline

C15H12N2OS — CID 139231125

IUPAC2-(4-methoxyphenyl)sulfanylquinazoline
SMILESCOc1ccc(Sc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-6-8-13(9-7-12)19-15-16-10-11-4-2-3-5-14(11)17-15/h2-10H,1H3
InChIKeyMROOEVCBIMVLPR-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfanylquinazoline

2-(4-methoxyphenyl)sulfanylquinazoline (PubChem CID 139231125) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanylquinazoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanylquinazoline
PubChem CID139231125
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(4-methoxyphenyl)sulfanylquinazoline
SMILESCOc1ccc(Sc2ncc3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-6-8-13(9-7-12)19-15-16-10-11-4-2-3-5-14(11)17-15/h2-10H,1H3
InChIKeyMROOEVCBIMVLPR-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxyquinazoline
CID 12213273
6-Methoxyquinazoline
CID 13126887
4-Methoxyquinazoline
CID 27831
5-(4-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462597
5-(3-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462600
5-(2-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462601
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
4-Methoxy-2-(pyridin-4-yl)quinazoline
CID 710968
(4-Methoxy-phenyl)-methyl-quinazolin-4-yl-amine
CID 11254113
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
2-(Benzylthio)-6-methoxy-4-methylquinazoline
CID 897291
N-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 122193537

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanylquinazoline?
The IUPAC name of 2-(4-methoxyphenyl)sulfanylquinazoline (CID 139231125) is 2-(4-methoxyphenyl)sulfanylquinazoline.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanylquinazoline?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanylquinazoline is COc1ccc(Sc2ncc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanylquinazoline?
The InChIKey is MROOEVCBIMVLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-12-6-8-13(9-7-12)19-15-16-10-11-4-2-3-5-14(11)17-15/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanylquinazoline?
2-(4-methoxyphenyl)sulfanylquinazoline has a molecular weight of 268.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanylquinazoline is sourced from PubChem (CID 139231125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).