N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide

C16H21N3O — CID 106770477

IUPACN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cnc(NC)c2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-18-15(17-4)13-9-7-6-8-12(13)14/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyWVJWWWSFSRIUAU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide

N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide (PubChem CID 106770477) 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-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
PubChem CID106770477
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cnc(NC)c2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-18-15(17-4)13-9-7-6-8-12(13)14/h6-11H,5H2,1-4H3,(H,17,18)
InChIKeyWVJWWWSFSRIUAU-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

Analyze N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
CID 106770174
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
CID 62168608
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-4-carboxamide
CID 106772538
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106771439
1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
CID 106770496
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
1-(methylamino)-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106769970
1-(methylamino)-N-(1-methylsulfinylpropan-2-yl)isoquinoline-4-carboxamide
CID 106772864
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide (CID 106770477) is N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide is CCN(C(=O)c1cnc(NC)c2ccccc12)C(C)C.
What is the InChIKey of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The InChIKey is WVJWWWSFSRIUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19(11(2)3)16(20)14-10-18-15(17-4)13-9-7-6-8-12(13)14/h6-11H,5H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-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-4-carboxamide is sourced from PubChem (CID 106770477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).