2-(diethylamino)-6-methoxy-3H-quinazolin-4-one

C13H17N3O2 — CID 137036625

IUPAC2-(diethylamino)-6-methoxy-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2ccc(OC)cc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-4-16(5-2)13-14-11-7-6-9(18-3)8-10(11)12(17)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyZAZBXRJGVFRWHX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds4

About 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one

2-(diethylamino)-6-methoxy-3H-quinazolin-4-one (PubChem CID 137036625) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-6-methoxy-3H-quinazolin-4-one
PubChem CID137036625
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(diethylamino)-6-methoxy-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2ccc(OC)cc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O2/c1-4-16(5-2)13-14-11-7-6-9(18-3)8-10(11)12(17)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyZAZBXRJGVFRWHX-UHFFFAOYSA-N
XLogP1.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-Acetyl-5-methoxykynuramine
CID 390658
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658103
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
6-Methoxy-2-methylquinazolin-4-ol
CID 135449497
3-Diethylaminomethyl-6-methoxy-2-methyl-quinolin-4-ol
CID 608398
2-{[(butylamino)carbonyl]amino}-N-(4-methoxyphenyl)benzamide
CID 1864779
6-(4-fluorophenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 23631117
3-[(1-ethylpiperidin-3-yl)methyl]-6-methoxy-2-(2-methoxyphenyl)quinazolin-4(3H)-one
CID 23631383

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one (CID 137036625) is 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one is CCN(CC)c1nc2ccc(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is ZAZBXRJGVFRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-16(5-2)13-14-11-7-6-9(18-3)8-10(11)12(17)15-13/h6-8H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one?
2-(diethylamino)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).