N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide

C16H21N3O — CID 62168608

IUPACN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(NC)n1)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-12-8-6-7-9-13(12)15(17-4)18-14/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyLSYCUWAXVTVZAO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide

N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide (PubChem CID 62168608) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
PubChem CID62168608
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2c(NC)n1)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-12-8-6-7-9-13(12)15(17-4)18-14/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyLSYCUWAXVTVZAO-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62170487
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192
N-(2-cyanoethyl)-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62174806
N-ethyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 67428149
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 115408617
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
CID 62156479
N-(2,2-dimethylbutyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 103464570
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
N-(2-methoxy-2-methylpropyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 104765623

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide (CID 62168608) is N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide is CCN(C(=O)c1cc2ccccc2c(NC)n1)C(C)C.
What is the InChIKey of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide?
The InChIKey is LSYCUWAXVTVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-12-8-6-7-9-13(12)15(17-4)18-14/h6-11H,5H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide?
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 62168608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).