2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide

C16H22N2O2 — CID 154744266

IUPAC2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESCC1CCC(CN2CCc3c(cccc3C(N)=O)C2)O1
InChIInChI=1S/C16H22N2O2/c1-11-5-6-13(20-11)10-18-8-7-14-12(9-18)3-2-4-15(14)16(17)19/h2-4,11,13H,5-10H2,1H3,(H2,17,19)
InChIKeyKIWJYVADNFXMQT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.71
Rot. Bonds3

About 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide

2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide (PubChem CID 154744266) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
PubChem CID154744266
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESCC1CCC(CN2CCc3c(cccc3C(N)=O)C2)O1
InChIInChI=1S/C16H22N2O2/c1-11-5-6-13(20-11)10-18-8-7-14-12(9-18)3-2-4-15(14)16(17)19/h2-4,11,13H,5-10H2,1H3,(H2,17,19)
InChIKeyKIWJYVADNFXMQT-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide (CID 154744266) is 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide is CC1CCC(CN2CCc3c(cccc3C(N)=O)C2)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The InChIKey is KIWJYVADNFXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-6-13(20-11)10-18-8-7-14-12(9-18)3-2-4-15(14)16(17)19/h2-4,11,13H,5-10H2,1H3,(H2,17,19).
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide?
2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide is sourced from PubChem (CID 154744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).