2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol

C16H16Cl2N2O — CID 127033012

IUPAC2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol
SMILESCN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3
InChIKeyBMOGOJGTAVLCMW-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.28
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol

2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol (PubChem CID 127033012) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol
PubChem CID127033012
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol
SMILESCN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3
InChIKeyBMOGOJGTAVLCMW-UHFFFAOYSA-N
XLogP4.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol (CID 127033012) is 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol is CN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol?
The InChIKey is BMOGOJGTAVLCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol?
2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol has a molecular weight of 323.22 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dihydroquinazolin-6-ol is sourced from PubChem (CID 127033012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).