3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one

C15H18N4O2 — CID 90364810

IUPAC3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)NC(=O)N(CCN)C2
InChIInChI=1S/C15H18N4O2/c1-9-14(10(2)21-18-9)11-3-4-12-8-19(6-5-16)15(20)17-13(12)7-11/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,20)
InChIKeyBZZWIGDMZABHGS-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.26
Rot. Bonds3

About 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one

3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 90364810) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID90364810
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)NC(=O)N(CCN)C2
InChIInChI=1S/C15H18N4O2/c1-9-14(10(2)21-18-9)11-3-4-12-8-19(6-5-16)15(20)17-13(12)7-11/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,20)
InChIKeyBZZWIGDMZABHGS-UHFFFAOYSA-N
XLogP2.26
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethyl-1-phenyl-4H-isoquinolin-3-one
CID 158134141
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
CID 86273096
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
CID 148832001
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
(3R)-4-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 123131593
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one
CID 86281901
(1S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-phenyl-1,4-dihydroisoquinolin-3-one
CID 158308730

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 90364810) is 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)NC(=O)N(CCN)C2.
What is the InChIKey of 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is BZZWIGDMZABHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-14(10(2)21-18-9)11-3-4-12-8-19(6-5-16)15(20)17-13(12)7-11/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,20).
What are the key properties of 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one?
3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 286.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 90364810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).