(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol

C19H18FN3OS — CID 32520763

IUPAC(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
SMILESO[C@@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m0/s1
InChIKeyCRJSZBITQABXIC-KRWDZBQOSA-N
MW355.44 g/mol
LogP4.17
Rot. Bonds6

About (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol

(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 32520763) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID32520763
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
SMILESO[C@@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m0/s1
InChIKeyCRJSZBITQABXIC-KRWDZBQOSA-N
XLogP4.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-({4-[(2-Hydroxyethyl)amino]-2-quinazolinyl}amino)phenyl]ethanol
CID 50945521
1-Phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 16289156
US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 124221432
US9295672, (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 124221433
US9295672, (R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 124221434
2-((3-fluorobenzyl)thio)-N-phenethylquinazolin-4-amine
CID 3289360
1-[3-[[4-(Diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
CID 56729007
1-(3-{[4-(Pyrrolidin-1-yl)quinazolin-2-yl]amino}phenyl)ethanol
CID 50946841
1-(3-{[4-(Dimethylamino)quinazolin-2-yl]amino}phenyl)ethanol
CID 50947145
(2R)-2-{[2-(2-Aminoethyl)quinazolin-4-YL]amino}-2-phenylethanol
CID 50976284
3-[[2-(Difluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 72003450
Antibacterial agent 77
CID 163196465

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol (CID 32520763) is (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol is O[C@@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is CRJSZBITQABXIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m0/s1.
What are the key properties of (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
(1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 355.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 32520763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).