1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide

C16H21N3O2 — CID 106773177

IUPAC1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NCC(C)OC)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(10-18-15)16(20)19-9-11(2)21-3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyLUDJHHPTACSEGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds6

About 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide

1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide (PubChem CID 106773177) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
PubChem CID106773177
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NCC(C)OC)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(10-18-15)16(20)19-9-11(2)21-3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyLUDJHHPTACSEGS-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
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-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-4-carboxamide
CID 106772538
1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106769743
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
CID 22581201
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide (CID 106773177) is 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide is CCNc1ncc(C(=O)NCC(C)OC)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide?
The InChIKey is LUDJHHPTACSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-15-13-8-6-5-7-12(13)14(10-18-15)16(20)19-9-11(2)21-3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide?
1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).