N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide

C21H20N2O2 — CID 171682087

IUPACN-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C21H20N2O2/c1-22-14-19(17-9-5-6-10-18(17)20(22)24)21(25)23(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3
InChIKeyFHZDZSGAIKCIFS-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide

N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 171682087) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID171682087
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C21H20N2O2/c1-22-14-19(17-9-5-6-10-18(17)20(22)24)21(25)23(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3
InChIKeyFHZDZSGAIKCIFS-UHFFFAOYSA-N
XLogP3.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 171682087) is N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide is Cn1cc(C(=O)N(Cc2ccccc2)C2CC2)c2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is FHZDZSGAIKCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22-14-19(17-9-5-6-10-18(17)20(22)24)21(25)23(16-11-12-16)13-15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 171682087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).