N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C18H12ClFN4OS — CID 118736872

IUPACN-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCOc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12
InChIInChI=1S/C18H12ClFN4OS/c1-25-15-5-10(16-7-21-9-26-16)4-12-17(15)22-8-23-18(12)24-11-2-3-14(20)13(19)6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyLFBXDZBYLPPAHI-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.30
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736872) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736872
Molecular FormulaC18H12ClFN4OS
Molecular Weight386.84 g/mol
Exact Mass386.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCOc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12
InChIInChI=1S/C18H12ClFN4OS/c1-25-15-5-10(16-7-21-9-26-16)4-12-17(15)22-8-23-18(12)24-11-2-3-14(20)13(19)6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyLFBXDZBYLPPAHI-UHFFFAOYSA-N
XLogP5.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736872) is N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine is COc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is LFBXDZBYLPPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c1-25-15-5-10(16-7-21-9-26-16)4-12-17(15)22-8-23-18(12)24-11-2-3-14(20)13(19)6-11/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 386.84 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).