N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C22H23N3O4 — CID 167789573

IUPACN-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc2c(c1OC)CCC2NC(=O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-13-23-17-7-5-4-6-16(17)22(27)25(13)12-20(26)24-18-10-8-15-14(18)9-11-19(28-2)21(15)29-3/h4-7,9,11,18H,8,10,12H2,1-3H3,(H,24,26)
InChIKeyOLXNHUAKWGZPLO-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.53
Rot. Bonds5

About N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 167789573) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID167789573
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc2c(c1OC)CCC2NC(=O)Cn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-13-23-17-7-5-4-6-16(17)22(27)25(13)12-20(26)24-18-10-8-15-14(18)9-11-19(28-2)21(15)29-3/h4-7,9,11,18H,8,10,12H2,1-3H3,(H,24,26)
InChIKeyOLXNHUAKWGZPLO-UHFFFAOYSA-N
XLogP2.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 167789573) is N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is COc1ccc2c(c1OC)CCC2NC(=O)Cn1c(C)nc2ccccc2c1=O.
What is the InChIKey of N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OLXNHUAKWGZPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-23-17-7-5-4-6-16(17)22(27)25(13)12-20(26)24-18-10-8-15-14(18)9-11-19(28-2)21(15)29-3/h4-7,9,11,18H,8,10,12H2,1-3H3,(H,24,26).
What are the key properties of N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 167789573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).