7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one

C22H19ClN4O2 — CID 134152254

IUPAC7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one
SMILESCn1c(NCCc2ccc(Oc3ccccn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H19ClN4O2/c1-27-21(28)18-10-7-16(23)14-19(18)26-22(27)25-13-11-15-5-8-17(9-6-15)29-20-4-2-3-12-24-20/h2-10,12,14H,11,13H2,1H3,(H,25,26)
InChIKeyNTKKQGLTLRELEM-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.43
Rot. Bonds6

About 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one

7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one (PubChem CID 134152254) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one
PubChem CID134152254
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one
SMILESCn1c(NCCc2ccc(Oc3ccccn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H19ClN4O2/c1-27-21(28)18-10-7-16(23)14-19(18)26-22(27)25-13-11-15-5-8-17(9-6-15)29-20-4-2-3-12-24-20/h2-10,12,14H,11,13H2,1H3,(H,25,26)
InChIKeyNTKKQGLTLRELEM-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one?
The IUPAC name of 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one (CID 134152254) is 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one is Cn1c(NCCc2ccc(Oc3ccccn3)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one?
The InChIKey is NTKKQGLTLRELEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-21(28)18-10-7-16(23)14-19(18)26-22(27)25-13-11-15-5-8-17(9-6-15)29-20-4-2-3-12-24-20/h2-10,12,14H,11,13H2,1H3,(H,25,26).
What are the key properties of 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one?
7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one has a molecular weight of 406.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one is sourced from PubChem (CID 134152254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).