N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide

C15H19N3O — CID 62171251

IUPACN,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(=O)N(C)C)cc2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-9-16-14-12-8-6-5-7-11(12)10-13(17-14)15(19)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyOKXGDIUEUSUSAV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds4

About N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide

N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide (PubChem CID 62171251) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
PubChem CID62171251
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
SMILESCCCNc1nc(C(=O)N(C)C)cc2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-9-16-14-12-8-6-5-7-11(12)10-13(17-14)15(19)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17)
InChIKeyOKXGDIUEUSUSAV-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide (CID 62171251) is N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide is CCCNc1nc(C(=O)N(C)C)cc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide?
The InChIKey is OKXGDIUEUSUSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-9-16-14-12-8-6-5-7-11(12)10-13(17-14)15(19)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide?
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide is sourced from PubChem (CID 62171251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).