1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide

C15H19N3O — CID 106770073

IUPAC1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-16-14-12-8-6-5-7-11(12)13(9-17-14)15(19)18-10(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVISSLBBKFTTYEA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.80
Rot. Bonds4

About 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide

1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide (PubChem CID 106770073) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
PubChem CID106770073
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)C)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-16-14-12-8-6-5-7-11(12)13(9-17-14)15(19)18-10(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVISSLBBKFTTYEA-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
CID 106773177
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106769743
1-(methylamino)-N-(1-methylsulfinylpropan-2-yl)isoquinoline-4-carboxamide
CID 106772864
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
CID 22581201
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
1-[2-[methyl(propan-2-yl)amino]ethylamino]isoquinoline-4-carboxylic acid
CID 106766971
ethyl 2-[(1-chloroisoquinoline-4-carbonyl)amino]propanoate
CID 106766102

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide (CID 106770073) is 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide is CCNc1ncc(C(=O)NC(C)C)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
The InChIKey is VISSLBBKFTTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-14-12-8-6-5-7-11(12)13(9-17-14)15(19)18-10(2)3/h5-10H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide?
1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 106770073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).