1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol

C18H22ClN3OS — CID 70084194

IUPAC1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
SMILESCCSc1nc2c(c(NCC(O)c3ccccc3Cl)n1)CCCC2
InChIInChI=1S/C18H22ClN3OS/c1-2-24-18-21-15-10-6-4-8-13(15)17(22-18)20-11-16(23)12-7-3-5-9-14(12)19/h3,5,7,9,16,23H,2,4,6,8,10-11H2,1H3,(H,20,21,22)
InChIKeyGIUWKHRJTRKIQU-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.27
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol

1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol (PubChem CID 70084194) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
PubChem CID70084194
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
SMILESCCSc1nc2c(c(NCC(O)c3ccccc3Cl)n1)CCCC2
InChIInChI=1S/C18H22ClN3OS/c1-2-24-18-21-15-10-6-4-8-13(15)17(22-18)20-11-16(23)12-7-3-5-9-14(12)19/h3,5,7,9,16,23H,2,4,6,8,10-11H2,1H3,(H,20,21,22)
InChIKeyGIUWKHRJTRKIQU-UHFFFAOYSA-N
XLogP4.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol (CID 70084194) is 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol is CCSc1nc2c(c(NCC(O)c3ccccc3Cl)n1)CCCC2.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
The InChIKey is GIUWKHRJTRKIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-2-24-18-21-15-10-6-4-8-13(15)17(22-18)20-11-16(23)12-7-3-5-9-14(12)19/h3,5,7,9,16,23H,2,4,6,8,10-11H2,1H3,(H,20,21,22).
What are the key properties of 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol?
1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol has a molecular weight of 363.91 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(2-ethylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 70084194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).