2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide

C17H24N4O4 — CID 135809025

IUPAC2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C17H24N4O4/c1-5-6-18-16(22)10-21(2)9-15-19-12-8-14(25-4)13(24-3)7-11(12)17(23)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,20,23)
InChIKeyZZTCMNIDSMVBJO-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.90
Rot. Bonds8

About 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide

2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 135809025) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
PubChem CID135809025
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C17H24N4O4/c1-5-6-18-16(22)10-21(2)9-15-19-12-8-14(25-4)13(24-3)7-11(12)17(23)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,20,23)
InChIKeyZZTCMNIDSMVBJO-UHFFFAOYSA-N
XLogP0.90
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 135808683
2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
CID 135971039
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135808666
2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135809081
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
2-[[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135894270
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
CID 137132797
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide
CID 135949353

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide (CID 135809025) is 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is ZZTCMNIDSMVBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-5-6-18-16(22)10-21(2)9-15-19-12-8-14(25-4)13(24-3)7-11(12)17(23)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide?
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 135809025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).