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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Related Compounds

7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
CID 134135450
7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
CID 134135730
3-methyl-1-[(4-methylphenyl)methyl]-6-(4-pyridin-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 130320492
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione
CID 58801143
2-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236545
7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
CID 871628
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 139769291
3-[(4-chlorophenyl)methyl]-7-(2-hydroxy-2-methylpropyl)-2-(4-pyridin-2-yloxyanilino)purin-6-one
CID 145412432
3-[4-[(4-chlorophenyl)methyl]-5-oxo-3-(4-pyridin-2-yloxyanilino)-1,2,4-triazin-6-yl]propanoic acid
CID 121372552
4-[(4-chlorophenyl)methyl]-3-(4-pyridin-2-yloxyanilino)-6-(trifluoromethyl)-1,2,4-triazin-5-one
CID 121372533

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).