2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline

C16H14ClFN2O — CID 163498680

IUPAC2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline
SMILESCOC1=CC(F)=CCC1(C)c1cccc2cnc(Cl)nc12
InChIInChI=1S/C16H14ClFN2O/c1-16(7-6-11(18)8-13(16)21-2)12-5-3-4-10-9-19-15(17)20-14(10)12/h3-6,8-9H,7H2,1-2H3
InChIKeyCSWJMXJKHKCREN-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.33
Rot. Bonds2

About 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline

2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline (PubChem CID 163498680) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline
PubChem CID163498680
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline
SMILESCOC1=CC(F)=CCC1(C)c1cccc2cnc(Cl)nc12
InChIInChI=1S/C16H14ClFN2O/c1-16(7-6-11(18)8-13(16)21-2)12-5-3-4-10-9-19-15(17)20-14(10)12/h3-6,8-9H,7H2,1-2H3
InChIKeyCSWJMXJKHKCREN-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-Chlorophenyl)ethoxy]-8-fluoroquinazoline
CID 23126517
2-[2-(4-Fluorophenyl)ethoxy]quinazoline
CID 23196541
2-[2-[4-(4-Fluorophenyl)phenyl]ethoxy]quinazoline
CID 23196586
2-[2-(2-Fluorophenyl)ethoxy]quinazoline
CID 23196587
2-[3-[3-(Trifluoromethyl)phenyl]propoxy]quinazoline
CID 23196606
2-Chloro-7-fluoro-8-methylquinazoline
CID 59615339
4-Amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol
CID 67348560
Ethyl 2-(7-fluoro-2-methoxyquinazolin-8-yl)acetate
CID 67352030
1-(7-Fluoro-2-methoxyquinazolin-8-yl)ethane-1,2-diol
CID 67352604
8-[2-[[4-(4-Fluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-methylquinazoline
CID 68842786
2-[4-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]oxyquinazoline
CID 88309184
2-Chloro-6-fluoro-8-(2-methoxyphenyl)quinazoline
CID 122648736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline?
The IUPAC name of 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline (CID 163498680) is 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline?
The canonical SMILES for 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline is COC1=CC(F)=CCC1(C)c1cccc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline?
The InChIKey is CSWJMXJKHKCREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-16(7-6-11(18)8-13(16)21-2)12-5-3-4-10-9-19-15(17)20-14(10)12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline?
2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline has a molecular weight of 304.75 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-fluoro-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)quinazoline is sourced from PubChem (CID 163498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).