1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide

C16H21N3O2 — CID 106771618

IUPAC1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)N(C)CC(C)O)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(9-18-15)16(21)19(3)10-11(2)20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18)
InChIKeyOVMJHAQZFQXCKQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds5

About 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide

1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide (PubChem CID 106771618) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
PubChem CID106771618
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)N(C)CC(C)O)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(9-18-15)16(21)19(3)10-11(2)20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18)
InChIKeyOVMJHAQZFQXCKQ-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770073
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
CID 106773177
N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
1-[2-[methyl(propan-2-yl)amino]ethylamino]isoquinoline-4-carboxylic acid
CID 106766971

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide (CID 106771618) is 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide is CCNc1ncc(C(=O)N(C)CC(C)O)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide?
The InChIKey is OVMJHAQZFQXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(9-18-15)16(21)19(3)10-11(2)20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18).
What are the key properties of 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide?
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide is sourced from PubChem (CID 106771618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).