2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide

C17H24N4O4 — CID 71692285

IUPAC2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)NCCN(C)C)c(=O)c2cc1OC
InChIInChI=1S/C17H24N4O4/c1-11-19-13-9-15(25-5)14(24-4)8-12(13)17(23)21(11)10-16(22)18-6-7-20(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,22)
InChIKeyCEFLBFBEPODUEP-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.40
Rot. Bonds7

About 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 71692285) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID71692285
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)NCCN(C)C)c(=O)c2cc1OC
InChIInChI=1S/C17H24N4O4/c1-11-19-13-9-15(25-5)14(24-4)8-12(13)17(23)21(11)10-16(22)18-6-7-20(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,22)
InChIKeyCEFLBFBEPODUEP-UHFFFAOYSA-N
XLogP0.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
D-709119
CID 9863862
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
2-({2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658105
(E)-3-[(6aS)-2,3-dimethoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-N,N-dimethylprop-2-enamide
CID 9841567
(6aS)-2,3-dimethoxy-8-[(E)-2-phenylethenyl]-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46196691
(6aS)-2,3-dimethoxy-8-(3-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907351
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201
(11aS)-7,8-dimethoxy-1,2,3,11a-tetrahydro-5H-pyrrolo [2,1-c][1,4]benzodiazepin-5-one
CID 9838075

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide (CID 71692285) is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide is COc1cc2nc(C)n(CC(=O)NCCN(C)C)c(=O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is CEFLBFBEPODUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-19-13-9-15(25-5)14(24-4)8-12(13)17(23)21(11)10-16(22)18-6-7-20(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,22).
What are the key properties of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 71692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).