N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide

C26H24N2O3 — CID 22549573

IUPACN-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccccc1C
InChIInChI=1S/C26H24N2O3/c1-4-27(24-12-8-5-9-18(24)2)26(30)23-17-28(19-13-15-20(31-3)16-14-19)25(29)22-11-7-6-10-21(22)23/h5-17H,4H2,1-3H3
InChIKeyYKSNNCVUUNCBPN-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.97
Rot. Bonds5

About N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide

N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 22549573) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID22549573
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccccc1C
InChIInChI=1S/C26H24N2O3/c1-4-27(24-12-8-5-9-18(24)2)26(30)23-17-28(19-13-15-20(31-3)16-14-19)25(29)22-11-7-6-10-21(22)23/h5-17H,4H2,1-3H3
InChIKeyYKSNNCVUUNCBPN-UHFFFAOYSA-N
XLogP4.97
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549553
N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549861
2-(4-methoxyphenyl)-1-oxo-N-phenyl-N-prop-2-enylisoquinoline-4-carboxamide
CID 22549580
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714
4-(4-ethylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 22549537
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 41473322
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 92686688
(4-methoxyphenyl) 2-ethyl-1-oxoisoquinoline-4-carboxylate
CID 53092798
pyridin-3-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide (CID 22549573) is N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide is CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is YKSNNCVUUNCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-27(24-12-8-5-9-18(24)2)26(30)23-17-28(19-13-15-20(31-3)16-14-19)25(29)22-11-7-6-10-21(22)23/h5-17H,4H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide?
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22549573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).