2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

C22H27N3O — CID 91834323

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2Cc3ccccc3C2)nc2c1CCCC2
InChIInChI=1S/C22H27N3O/c1-15-19-8-4-5-9-20(19)25-21(24-15)10-11-23-22(26)14-16-12-17-6-2-3-7-18(17)13-16/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,23,26)
InChIKeyRRIQGEBJNJWBGO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.13
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (PubChem CID 91834323) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
PubChem CID91834323
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CC2Cc3ccccc3C2)nc2c1CCCC2
InChIInChI=1S/C22H27N3O/c1-15-19-8-4-5-9-20(19)25-21(24-15)10-11-23-22(26)14-16-12-17-6-2-3-7-18(17)13-16/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,23,26)
InChIKeyRRIQGEBJNJWBGO-UHFFFAOYSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (CID 91834323) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CC2Cc3ccccc3C2)nc2c1CCCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The InChIKey is RRIQGEBJNJWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-15-19-8-4-5-9-20(19)25-21(24-15)10-11-23-22(26)14-16-12-17-6-2-3-7-18(17)13-16/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,23,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 91834323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).