4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline

C17H14ClFN2O — CID 177190752

IUPAC4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline
SMILESCc1c(OCc2ccccc2)c(F)c(C)c2c(Cl)ncnc12
InChIInChI=1S/C17H14ClFN2O/c1-10-13-15(20-9-21-17(13)18)11(2)16(14(10)19)22-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyRMRHJMSPMGPVDE-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.62
Rot. Bonds3

About 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline

4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline (PubChem CID 177190752) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline
PubChem CID177190752
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline
SMILESCc1c(OCc2ccccc2)c(F)c(C)c2c(Cl)ncnc12
InChIInChI=1S/C17H14ClFN2O/c1-10-13-15(20-9-21-17(13)18)11(2)16(14(10)19)22-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyRMRHJMSPMGPVDE-UHFFFAOYSA-N
XLogP4.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
4-chloro-5,6,7,8-tetrafluoroquinazoline
CID 34179176
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
7-benzyl-4-chloro-5-fluoropyrrolo[2,3-d]pyrimidine
CID 84819802
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline?
The IUPAC name of 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline (CID 177190752) is 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline?
The canonical SMILES for 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline is Cc1c(OCc2ccccc2)c(F)c(C)c2c(Cl)ncnc12.
What is the InChIKey of 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline?
The InChIKey is RMRHJMSPMGPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-10-13-15(20-9-21-17(13)18)11(2)16(14(10)19)22-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline?
4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline has a molecular weight of 316.76 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-5,8-dimethyl-7-phenylmethoxyquinazoline is sourced from PubChem (CID 177190752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).