2-ethoxy-4aH-quinazolin-4-one

C10H10N2O2 — CID 78203567

IUPAC2-ethoxy-4aH-quinazolin-4-one
SMILESCCOC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C10H10N2O2/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-7H,2H2,1H3
InChIKeyYYZIUYJOZIKVDS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.10
Rot. Bonds1

About 2-ethoxy-4aH-quinazolin-4-one

2-ethoxy-4aH-quinazolin-4-one (PubChem CID 78203567) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-ethoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-ethoxy-4aH-quinazolin-4-one
PubChem CID78203567
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-ethoxy-4aH-quinazolin-4-one
SMILESCCOC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C10H10N2O2/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-7H,2H2,1H3
InChIKeyYYZIUYJOZIKVDS-UHFFFAOYSA-N
XLogP1.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-oxo-4aH-quinazolin-2-yl)propanoate
CID 78176867
2-[(4-oxo-4aH-quinazolin-2-yl)methoxy]acetic acid
CID 74456136
2-(4-fluorophenyl)-4aH-quinazolin-4-one
CID 78213954
ethyl 4-hydroxy-1-oxo-8aH-isoquinoline-3-carboxylate
CID 71650539
2-heptyl-4aH-quinolin-4-one
CID 78178442
4-bromo-4aH-quinolin-2-one
CID 71303285
methyl N-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)carbamate
CID 78351305
10-(4-ethoxyphenyl)-8aH-thioxanthen-9-one
CID 173479563
4-oxo-N-[2-(quinoline-2-carbonylamino)ethyl]-4aH-quinazoline-2-carboxamide
CID 85450265
2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one
CID 78415965
4-methyl-8aH-phthalazin-1-one
CID 57273587
ethyl 4-[6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate
CID 73453160

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4aH-quinazolin-4-one?
The IUPAC name of 2-ethoxy-4aH-quinazolin-4-one (CID 78203567) is 2-ethoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 2-ethoxy-4aH-quinazolin-4-one?
The canonical SMILES for 2-ethoxy-4aH-quinazolin-4-one is CCOC1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-ethoxy-4aH-quinazolin-4-one?
The InChIKey is YYZIUYJOZIKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxy-4aH-quinazolin-4-one?
2-ethoxy-4aH-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 78203567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).