2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane

C17H16ClFN2O — CID 156747778

IUPAC2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane
SMILESCC.Cc1ncnc2cc(-c3c(O)cccc3F)c(Cl)cc12
InChIInChI=1S/C15H10ClFN2O.C2H6/c1-8-9-5-11(16)10(6-13(9)19-7-18-8)15-12(17)3-2-4-14(15)20;1-2/h2-7,20H,1H3;1-2H3
InChIKeyNNBGPJFODPGWAV-UHFFFAOYSA-N
MW318.78 g/mol
LogP5.13
Rot. Bonds1

About 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane

2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane (PubChem CID 156747778) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane.

Molecular Properties

Compound Name2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane
PubChem CID156747778
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane
SMILESCC.Cc1ncnc2cc(-c3c(O)cccc3F)c(Cl)cc12
InChIInChI=1S/C15H10ClFN2O.C2H6/c1-8-9-5-11(16)10(6-13(9)19-7-18-8)15-12(17)3-2-4-14(15)20;1-2/h2-7,20H,1H3;1-2H3
InChIKeyNNBGPJFODPGWAV-UHFFFAOYSA-N
XLogP5.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.78
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane?
The IUPAC name of 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane (CID 156747778) is 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane.
What is the SMILES notation for 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane?
The canonical SMILES for 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane is CC.Cc1ncnc2cc(-c3c(O)cccc3F)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane?
The InChIKey is NNBGPJFODPGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O.C2H6/c1-8-9-5-11(16)10(6-13(9)19-7-18-8)15-12(17)3-2-4-14(15)20;1-2/h2-7,20H,1H3;1-2H3.
What are the key properties of 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane?
2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane has a molecular weight of 318.78 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methylquinazolin-7-yl)-3-fluorophenol;ethane is sourced from PubChem (CID 156747778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).