3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one

C21H24N4O — CID 24879305

IUPAC3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H24N4O/c1-14-8-10-25(11-9-15-4-2-3-5-15)20(26)19(14)16-6-7-18-17(12-16)13-23-21(22)24-18/h6-8,10,12-13,15H,2-5,9,11H2,1H3,(H2,22,23,24)
InChIKeyUGOPZRICVJBSEN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one

3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one (PubChem CID 24879305) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one
PubChem CID24879305
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C21H24N4O/c1-14-8-10-25(11-9-15-4-2-3-5-15)20(26)19(14)16-6-7-18-17(12-16)13-23-21(22)24-18/h6-8,10,12-13,15H,2-5,9,11H2,1H3,(H2,22,23,24)
InChIKeyUGOPZRICVJBSEN-UHFFFAOYSA-N
XLogP3.93
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one (CID 24879305) is 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one is Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one?
The InChIKey is UGOPZRICVJBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-8-10-25(11-9-15-4-2-3-5-15)20(26)19(14)16-6-7-18-17(12-16)13-23-21(22)24-18/h6-8,10,12-13,15H,2-5,9,11H2,1H3,(H2,22,23,24).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one?
3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 24879305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).