2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one

C16H24N4O3 — CID 137303948

IUPAC2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(CC)CCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-5-20(6-2)8-7-17-16-18-12-10-14(23-4)13(22-3)9-11(12)15(21)19-16/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21)
InChIKeyLPJFFHNJDRGPTD-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one

2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 137303948) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID137303948
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(CC)CCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-5-20(6-2)8-7-17-16-18-12-10-14(23-4)13(22-3)9-11(12)15(21)19-16/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21)
InChIKeyLPJFFHNJDRGPTD-UHFFFAOYSA-N
XLogP1.69
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
CID 136743156
2-[[3-(2,5-dimethylphenoxy)propyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135735115
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one (CID 137303948) is 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(CC)CCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is LPJFFHNJDRGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-20(6-2)8-7-17-16-18-12-10-14(23-4)13(22-3)9-11(12)15(21)19-16/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21).
What are the key properties of 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 320.39 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137303948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).