3-(6,7-dimethoxyisoquinolin-5-yl)propanamide

C14H16N2O3 — CID 82578303

IUPAC3-(6,7-dimethoxyisoquinolin-5-yl)propanamide
SMILESCOc1cc2cnccc2c(CCC(N)=O)c1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-7-9-8-16-6-5-10(9)11(14(12)19-2)3-4-13(15)17/h5-8H,3-4H2,1-2H3,(H2,15,17)
InChIKeyDBMXNUZTBPXGMF-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.67
Rot. Bonds5

About 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide

3-(6,7-dimethoxyisoquinolin-5-yl)propanamide (PubChem CID 82578303) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxyisoquinolin-5-yl)propanamide
PubChem CID82578303
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(6,7-dimethoxyisoquinolin-5-yl)propanamide
SMILESCOc1cc2cnccc2c(CCC(N)=O)c1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-7-9-8-16-6-5-10(9)11(14(12)19-2)3-4-13(15)17/h5-8H,3-4H2,1-2H3,(H2,15,17)
InChIKeyDBMXNUZTBPXGMF-UHFFFAOYSA-N
XLogP1.67
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(6,7-dimethoxyisoquinolin-5-yl)prop-2-enoic acid
CID 82580109
6-methoxyisoquinoline-5-carboxamide
CID 82573912
3-isoquinolin-5-ylpropanamide
CID 82578287
5,6,8-trimethoxyisoquinoline
CID 15715766
3-(4-methoxy-2-methylquinolin-8-yl)propanamide
CID 82578489
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide
CID 164754536
(3-methoxy-4-pyridinyl) carbamate
CID 90285344
3-(8-chloroisoquinolin-5-yl)propanamide
CID 82578302
3-(8-fluoroisoquinolin-5-yl)propanamide
CID 82578299
methyl 2-(6-hydroxyisoquinolin-5-yl)acetate
CID 137004397

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide?
The IUPAC name of 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide (CID 82578303) is 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide is COc1cc2cnccc2c(CCC(N)=O)c1OC.
What is the InChIKey of 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide?
The InChIKey is DBMXNUZTBPXGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-7-9-8-16-6-5-10(9)11(14(12)19-2)3-4-13(15)17/h5-8H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide?
3-(6,7-dimethoxyisoquinolin-5-yl)propanamide has a molecular weight of 260.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxyisoquinolin-5-yl)propanamide is sourced from PubChem (CID 82578303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).