1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide

C15H17N3O2 — CID 82743415

IUPAC1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(N)n1)C1CCOC1
InChIInChI=1S/C15H17N3O2/c1-18(11-6-7-20-9-11)15(19)13-8-10-4-2-3-5-12(10)14(16)17-13/h2-5,8,11H,6-7,9H2,1H3,(H2,16,17)
InChIKeyNLQMXQJBXPWEMN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.68
Rot. Bonds2

About 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide

1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide (PubChem CID 82743415) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
PubChem CID82743415
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(N)n1)C1CCOC1
InChIInChI=1S/C15H17N3O2/c1-18(11-6-7-20-9-11)15(19)13-8-10-4-2-3-5-12(10)14(16)17-13/h2-5,8,11H,6-7,9H2,1H3,(H2,16,17)
InChIKeyNLQMXQJBXPWEMN-UHFFFAOYSA-N
XLogP1.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 80715100
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243552
1-chloro-N-cyclobutyl-N-methylisoquinoline-3-carboxamide
CID 115649159
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
CID 62151478
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 62156475
4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
CID 82740887
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide (CID 82743415) is 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2c(N)n1)C1CCOC1.
What is the InChIKey of 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
The InChIKey is NLQMXQJBXPWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(11-6-7-20-9-11)15(19)13-8-10-4-2-3-5-12(10)14(16)17-13/h2-5,8,11H,6-7,9H2,1H3,(H2,16,17).
What are the key properties of 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide?
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 82743415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).