N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide

C26H30N2O4 — CID 71522645

IUPACN-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide
SMILESCCC(CC)n1cc(C(=O)NC2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C26H30N2O4/c1-5-17(6-2)28-15-21(19-13-23(31-3)24(32-4)14-20(19)26(28)30)25(29)27-22-12-11-16-9-7-8-10-18(16)22/h7-10,13-15,17,22H,5-6,11-12H2,1-4H3,(H,27,29)
InChIKeyYXGQQPRSRDKRLI-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.80
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide (PubChem CID 71522645) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide
PubChem CID71522645
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide
SMILESCCC(CC)n1cc(C(=O)NC2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C26H30N2O4/c1-5-17(6-2)28-15-21(19-13-23(31-3)24(32-4)14-20(19)26(28)30)25(29)27-22-12-11-16-9-7-8-10-18(16)22/h7-10,13-15,17,22H,5-6,11-12H2,1-4H3,(H,27,29)
InChIKeyYXGQQPRSRDKRLI-UHFFFAOYSA-N
XLogP4.80
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
CID 140606612
(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 129111420
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
CID 20649308
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide (CID 71522645) is N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide is CCC(CC)n1cc(C(=O)NC2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide?
The InChIKey is YXGQQPRSRDKRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-17(6-2)28-15-21(19-13-23(31-3)24(32-4)14-20(19)26(28)30)25(29)27-22-12-11-16-9-7-8-10-18(16)22/h7-10,13-15,17,22H,5-6,11-12H2,1-4H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 71522645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).