N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide

C26H24N2O4 — CID 22549553

IUPACN-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C26H24N2O4/c1-4-32-24-12-8-7-11-23(24)27(2)25(29)22-17-28(18-13-15-19(31-3)16-14-18)26(30)21-10-6-5-9-20(21)22/h5-17H,4H2,1-3H3
InChIKeyQNSSIHQHWJZRBF-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.67
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide

N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22549553) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22549553
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C26H24N2O4/c1-4-32-24-12-8-7-11-23(24)27(2)25(29)22-17-28(18-13-15-19(31-3)16-14-18)26(30)21-10-6-5-9-20(21)22/h5-17H,4H2,1-3H3
InChIKeyQNSSIHQHWJZRBF-UHFFFAOYSA-N
XLogP4.67
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549861
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549573
N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422723
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
2-(4-methoxyphenyl)-1-oxo-N-phenyl-N-prop-2-enylisoquinoline-4-carboxamide
CID 22549580
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
N-(4-bromophenyl)-2-(3-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549789
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 92686688
pyridin-3-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391481

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide (CID 22549553) is N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide is CCOc1ccccc1N(C)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is QNSSIHQHWJZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-32-24-12-8-7-11-23(24)27(2)25(29)22-17-28(18-13-15-19(31-3)16-14-18)26(30)21-10-6-5-9-20(21)22/h5-17H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22549553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).