6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine

C17H14ClFN4S — CID 164870314

IUPAC6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc(SC3CNC3)cc12
InChIInChI=1S/C17H14ClFN4S/c18-13-2-1-3-15(16(13)19)23-17-12-6-10(24-11-7-20-8-11)4-5-14(12)21-9-22-17/h1-6,9,11,20H,7-8H2,(H,21,22,23)
InChIKeyYLOYPQKBHBVXKB-UHFFFAOYSA-N
MW360.85 g/mol
LogP4.23
Rot. Bonds4

About 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine

6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine (PubChem CID 164870314) has the molecular formula C17H14ClFN4S and a molecular weight of 360.85 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
PubChem CID164870314
Molecular FormulaC17H14ClFN4S
Molecular Weight360.85 g/mol
Exact Mass360.06
IUPAC Name6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2ccc(SC3CNC3)cc12
InChIInChI=1S/C17H14ClFN4S/c18-13-2-1-3-15(16(13)19)23-17-12-6-10(24-11-7-20-8-11)4-5-14(12)21-9-22-17/h1-6,9,11,20H,7-8H2,(H,21,22,23)
InChIKeyYLOYPQKBHBVXKB-UHFFFAOYSA-N
XLogP4.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
1-[3-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]azetidin-1-yl]prop-2-en-1-one
CID 166538763
1-[4-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166538883
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazolin-4-amine
CID 68519315
tert-butyl 3-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]pyrrolidine-1-carboxylate
CID 166539346
1-[(1R)-1-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
CID 166539918

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine (CID 164870314) is 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2ccc(SC3CNC3)cc12.
What is the InChIKey of 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The InChIKey is YLOYPQKBHBVXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4S/c18-13-2-1-3-15(16(13)19)23-17-12-6-10(24-11-7-20-8-11)4-5-14(12)21-9-22-17/h1-6,9,11,20H,7-8H2,(H,21,22,23).
What are the key properties of 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine has a molecular weight of 360.85 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 164870314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).