4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide

C16H20N2O4 — CID 10756895

IUPAC4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C16H20N2O4/c1-17-15(19)5-4-7-18-8-6-11-9-13(21-2)14(22-3)10-12(11)16(18)20/h6,8-10H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyFWEHNFIOGJMNFF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.54
Rot. Bonds6

About 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide

4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide (PubChem CID 10756895) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide
PubChem CID10756895
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C16H20N2O4/c1-17-15(19)5-4-7-18-8-6-11-9-13(21-2)14(22-3)10-12(11)16(18)20/h6,8-10H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyFWEHNFIOGJMNFF-UHFFFAOYSA-N
XLogP1.54
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxoisoquinolin-2-yl]butanoate
CID 10503011
2-(4-iodobutyl)-6,7,10,11-tetramethoxyphenanthro[9,10-c]pyridin-1-one
CID 11706611
3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 75389522
tert-butyl N-[3-(6,7,10,11-tetramethoxy-1-oxophenanthro[9,10-c]pyridin-2-yl)propyl]carbamate
CID 71534013
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-methylbutanamide
CID 10609176
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
6-bromo-7-fluoro-2-(4-oxopentyl)isoquinolin-1-one
CID 169118545
4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
CID 114561776
3-[2-(7-chloro-6-methoxy-1-oxoisoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 167883268
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylbutanamide
CID 63892960

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide?
The IUPAC name of 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide (CID 10756895) is 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide?
The canonical SMILES for 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide is CNC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide?
The InChIKey is FWEHNFIOGJMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-17-15(19)5-4-7-18-8-6-11-9-13(21-2)14(22-3)10-12(11)16(18)20/h6,8-10H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide?
4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide has a molecular weight of 304.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)-N-methylbutanamide is sourced from PubChem (CID 10756895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).