N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C21H21N3O5 — CID 128962659

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)Cn1c(=O)[nH]c3ccccc3c1=O)CC2
InChIInChI=1S/C21H21N3O5/c1-28-17-9-12-7-8-16(14(12)10-18(17)29-2)22-19(25)11-24-20(26)13-5-3-4-6-15(13)23-21(24)27/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyGYZGKLOQNDNQNF-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.51
Rot. Bonds5

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 128962659) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID128962659
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)Cn1c(=O)[nH]c3ccccc3c1=O)CC2
InChIInChI=1S/C21H21N3O5/c1-28-17-9-12-7-8-16(14(12)10-18(17)29-2)22-19(25)11-24-20(26)13-5-3-4-6-15(13)23-21(24)27/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyGYZGKLOQNDNQNF-UHFFFAOYSA-N
XLogP1.51
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 125433415
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
3-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 55667003
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431726
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120599144
2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17415768

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 128962659) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is COc1cc2c(cc1OC)C(NC(=O)Cn1c(=O)[nH]c3ccccc3c1=O)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is GYZGKLOQNDNQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-28-17-9-12-7-8-16(14(12)10-18(17)29-2)22-19(25)11-24-20(26)13-5-3-4-6-15(13)23-21(24)27/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 128962659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).