N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide

C14H21N3O3 — CID 171568630

IUPACN-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCc2nc(C)n(CCO)c(=O)c2C1
InChIInChI=1S/C14H21N3O3/c1-9-15-13-5-4-11(16(3)10(2)19)8-12(13)14(20)17(9)6-7-18/h11,18H,4-8H2,1-3H3
InChIKeyQLFJRJIQJIYACK-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.12
Rot. Bonds3

About N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide

N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide (PubChem CID 171568630) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide
PubChem CID171568630
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCc2nc(C)n(CCO)c(=O)c2C1
InChIInChI=1S/C14H21N3O3/c1-9-15-13-5-4-11(16(3)10(2)19)8-12(13)14(20)17(9)6-7-18/h11,18H,4-8H2,1-3H3
InChIKeyQLFJRJIQJIYACK-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide?
The IUPAC name of N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide (CID 171568630) is N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide.
What is the SMILES notation for N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide?
The canonical SMILES for N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide is CC(=O)N(C)C1CCc2nc(C)n(CCO)c(=O)c2C1.
What is the InChIKey of N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide?
The InChIKey is QLFJRJIQJIYACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-15-13-5-4-11(16(3)10(2)19)8-12(13)14(20)17(9)6-7-18/h11,18H,4-8H2,1-3H3.
What are the key properties of N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide?
N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide is sourced from PubChem (CID 171568630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).