4-amino-N-isoquinolin-8-yl-2-methylbutanamide

C14H17N3O — CID 80543976

IUPAC4-amino-N-isoquinolin-8-yl-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cccc2ccncc12
InChIInChI=1S/C14H17N3O/c1-10(5-7-15)14(18)17-13-4-2-3-11-6-8-16-9-12(11)13/h2-4,6,8-10H,5,7,15H2,1H3,(H,17,18)
InChIKeyYGFSKQZWTXXFLO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-N-isoquinolin-8-yl-2-methylbutanamide

4-amino-N-isoquinolin-8-yl-2-methylbutanamide (PubChem CID 80543976) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-isoquinolin-8-yl-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-isoquinolin-8-yl-2-methylbutanamide
PubChem CID80543976
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-N-isoquinolin-8-yl-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cccc2ccncc12
InChIInChI=1S/C14H17N3O/c1-10(5-7-15)14(18)17-13-4-2-3-11-6-8-16-9-12(11)13/h2-4,6,8-10H,5,7,15H2,1H3,(H,17,18)
InChIKeyYGFSKQZWTXXFLO-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-ylurea
CID 67363282
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-isoquinolin-8-yl-2-phenylsulfanylbutanamide
CID 166234096
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
N-[1-(isoquinolin-8-ylamino)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 153367752
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
3-(isoquinolin-8-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110351
3-amino-3-hydroxyimino-N-isoquinolin-5-yl-2-methylpropanamide
CID 76925512
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-isoquinolin-8-yl-2-methylbutanamide?
The IUPAC name of 4-amino-N-isoquinolin-8-yl-2-methylbutanamide (CID 80543976) is 4-amino-N-isoquinolin-8-yl-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-isoquinolin-8-yl-2-methylbutanamide?
The canonical SMILES for 4-amino-N-isoquinolin-8-yl-2-methylbutanamide is CC(CCN)C(=O)Nc1cccc2ccncc12.
What is the InChIKey of 4-amino-N-isoquinolin-8-yl-2-methylbutanamide?
The InChIKey is YGFSKQZWTXXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(5-7-15)14(18)17-13-4-2-3-11-6-8-16-9-12(11)13/h2-4,6,8-10H,5,7,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-isoquinolin-8-yl-2-methylbutanamide?
4-amino-N-isoquinolin-8-yl-2-methylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-isoquinolin-8-yl-2-methylbutanamide is sourced from PubChem (CID 80543976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).