6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide

C19H20N2O3S — CID 175651711

IUPAC6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)NCc2cccs2)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-3-8-21-17(18(22)20-12-15-5-4-9-25-15)11-13-10-14(24-2)6-7-16(13)19(21)23/h4-7,9-11H,3,8,12H2,1-2H3,(H,20,22)
InChIKeyHAYNAPYIGUVIFL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.41
Rot. Bonds6

About 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide

6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide (PubChem CID 175651711) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
PubChem CID175651711
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)NCc2cccs2)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C19H20N2O3S/c1-3-8-21-17(18(22)20-12-15-5-4-9-25-15)11-13-10-14(24-2)6-7-16(13)19(21)23/h4-7,9-11H,3,8,12H2,1-2H3,(H,20,22)
InChIKeyHAYNAPYIGUVIFL-UHFFFAOYSA-N
XLogP3.41
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
6-methoxy-N-(thiophen-2-ylmethyl)furo[2,3-b]quinoline-2-carboxamide
CID 3245490
3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 4609877
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2536154
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide?
The IUPAC name of 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide (CID 175651711) is 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide is CCCn1c(C(=O)NCc2cccs2)cc2cc(OC)ccc2c1=O.
What is the InChIKey of 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide?
The InChIKey is HAYNAPYIGUVIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-8-21-17(18(22)20-12-15-5-4-9-25-15)11-13-10-14(24-2)6-7-16(13)19(21)23/h4-7,9-11H,3,8,12H2,1-2H3,(H,20,22).
What are the key properties of 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide?
6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 175651711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).