6-chloro-2-ethylsulfanyl-4-phenylquinazoline

C16H13ClN2S — CID 751838

IUPAC6-chloro-2-ethylsulfanyl-4-phenylquinazoline
SMILESCCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H13ClN2S/c1-2-20-16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFNROFCMXKDMRII-UHFFFAOYSA-N
MW300.81 g/mol
LogP5.06
Rot. Bonds3

About 6-chloro-2-ethylsulfanyl-4-phenylquinazoline

6-chloro-2-ethylsulfanyl-4-phenylquinazoline (PubChem CID 751838) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 6-chloro-2-ethylsulfanyl-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-ethylsulfanyl-4-phenylquinazoline
PubChem CID751838
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name6-chloro-2-ethylsulfanyl-4-phenylquinazoline
SMILESCCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H13ClN2S/c1-2-20-16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyFNROFCMXKDMRII-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloroquinazoline-2,4-diamine
CID 256219
4-Chloro-2-phenylquinazoline
CID 80977
6-Chloro-4-(dichloromethyl)-2-phenylquinazoline
CID 617341
1-[(6-Chloro-4-phenylquinazolin-2-yl)amino]-3-methylthiourea
CID 788528
N-(6-Chloro-4-phenyl-quinazolin-2-yl)-guanidine
CID 24746808
6-Chloro-2-(methylthio)-4-phenylquinazoline
CID 700615
2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
CID 2017190
2-Chloro-4-phenylquinazoline
CID 3123582
N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride
CID 2953146
6-Chloro-2-methoxy-4-phenylquinazoline
CID 742338
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
CID 1925990
6-Chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
CID 659436

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylsulfanyl-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-ethylsulfanyl-4-phenylquinazoline (CID 751838) is 6-chloro-2-ethylsulfanyl-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-ethylsulfanyl-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-ethylsulfanyl-4-phenylquinazoline is CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-ethylsulfanyl-4-phenylquinazoline?
The InChIKey is FNROFCMXKDMRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c1-2-20-16-18-14-9-8-12(17)10-13(14)15(19-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 6-chloro-2-ethylsulfanyl-4-phenylquinazoline?
6-chloro-2-ethylsulfanyl-4-phenylquinazoline has a molecular weight of 300.81 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylsulfanyl-4-phenylquinazoline is sourced from PubChem (CID 751838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).