2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide

C24H26N2O2 — CID 134337334

IUPAC2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)C1CN(C(=O)CC2CC2)Cc2ccccc21
InChIInChI=1S/C24H26N2O2/c27-23(11-16-9-10-16)26-14-19-7-3-4-8-21(19)22(15-26)24(28)25-20-12-17-5-1-2-6-18(17)13-20/h1-8,16,20,22H,9-15H2,(H,25,28)
InChIKeyBQSPKHKZVDFFAP-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide

2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide (PubChem CID 134337334) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
PubChem CID134337334
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)C1CN(C(=O)CC2CC2)Cc2ccccc21
InChIInChI=1S/C24H26N2O2/c27-23(11-16-9-10-16)26-14-19-7-3-4-8-21(19)22(15-26)24(28)25-20-12-17-5-1-2-6-18(17)13-20/h1-8,16,20,22H,9-15H2,(H,25,28)
InChIKeyBQSPKHKZVDFFAP-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The IUPAC name of 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide (CID 134337334) is 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide is O=C(NC1Cc2ccccc2C1)C1CN(C(=O)CC2CC2)Cc2ccccc21.
What is the InChIKey of 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The InChIKey is BQSPKHKZVDFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23(11-16-9-10-16)26-14-19-7-3-4-8-21(19)22(15-26)24(28)25-20-12-17-5-1-2-6-18(17)13-20/h1-8,16,20,22H,9-15H2,(H,25,28).
What are the key properties of 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylacetyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxamide is sourced from PubChem (CID 134337334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).