N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide

C15H19N3O2 — CID 106540035

IUPACN-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C15H19N3O2/c1-4-18(3)15(20)10(2)17-14-13-9-12(19)6-5-11(13)7-8-16-14/h5-10,19H,4H2,1-3H3,(H,16,17)
InChIKeyKFBFVFJZXJFCNF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide

N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide (PubChem CID 106540035) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
PubChem CID106540035
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C15H19N3O2/c1-4-18(3)15(20)10(2)17-14-13-9-12(19)6-5-11(13)7-8-16-14/h5-10,19H,4H2,1-3H3,(H,16,17)
InChIKeyKFBFVFJZXJFCNF-UHFFFAOYSA-N
XLogP2.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]propanoate
CID 106538103
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide
CID 106539409
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
N-ethyl-N-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 103111606
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
2-[(7-hydroxyisoquinolin-1-yl)amino]hexanoic acid
CID 106535962
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide (CID 106540035) is N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nccc2ccc(O)cc12.
What is the InChIKey of N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide?
The InChIKey is KFBFVFJZXJFCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18(3)15(20)10(2)17-14-13-9-12(19)6-5-11(13)7-8-16-14/h5-10,19H,4H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide?
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 106540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).