4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline

C15H10ClFN2O — CID 114590465

IUPAC4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1
InChIInChI=1S/C15H10ClFN2O/c1-20-10-5-2-4-9(8-10)15-18-13-11(14(16)19-15)6-3-7-12(13)17/h2-8H,1H3
InChIKeyIPCZOXWYLNIKJJ-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline

4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline (PubChem CID 114590465) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
PubChem CID114590465
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
SMILESCOc1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1
InChIInChI=1S/C15H10ClFN2O/c1-20-10-5-2-4-9(8-10)15-18-13-11(14(16)19-15)6-3-7-12(13)17/h2-8H,1H3
InChIKeyIPCZOXWYLNIKJJ-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline?
The IUPAC name of 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline (CID 114590465) is 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline.
What is the SMILES notation for 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline?
The canonical SMILES for 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline is COc1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1.
What is the InChIKey of 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline?
The InChIKey is IPCZOXWYLNIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-20-10-5-2-4-9(8-10)15-18-13-11(14(16)19-15)6-3-7-12(13)17/h2-8H,1H3.
What are the key properties of 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline?
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline has a molecular weight of 288.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline is sourced from PubChem (CID 114590465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).