N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C13H18N2O — CID 3859615

IUPACN-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCNC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKeyJORKKSUCVHWJBE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.16
Rot. Bonds2

About N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 3859615) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID3859615
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCNC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKeyJORKKSUCVHWJBE-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 3859615) is N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCCNC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JORKKSUCVHWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16).
What are the key properties of N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 3859615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).