8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide

C27H24N2O4 — CID 54020450

IUPAC8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide
SMILESCOc1ccc(C=Cc2ccc3ccc(C(=O)NCC(O)c4ccccc4)c(O)c3n2)cc1
InChIInChI=1S/C27H24N2O4/c1-33-22-14-8-18(9-15-22)7-12-21-13-10-20-11-16-23(26(31)25(20)29-21)27(32)28-17-24(30)19-5-3-2-4-6-19/h2-16,24,30-31H,17H2,1H3,(H,28,32)
InChIKeyKYOFOKGELDIVID-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.58
Rot. Bonds7

About 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide

8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide (PubChem CID 54020450) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide
PubChem CID54020450
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide
SMILESCOc1ccc(C=Cc2ccc3ccc(C(=O)NCC(O)c4ccccc4)c(O)c3n2)cc1
InChIInChI=1S/C27H24N2O4/c1-33-22-14-8-18(9-15-22)7-12-21-13-10-20-11-16-23(26(31)25(20)29-21)27(32)28-17-24(30)19-5-3-2-4-6-19/h2-16,24,30-31H,17H2,1H3,(H,28,32)
InChIKeyKYOFOKGELDIVID-UHFFFAOYSA-N
XLogP4.58
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
CID 54518752
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
CID 54063603
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
(E)-N-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 10245998
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide (CID 54020450) is 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide is COc1ccc(C=Cc2ccc3ccc(C(=O)NCC(O)c4ccccc4)c(O)c3n2)cc1.
What is the InChIKey of 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide?
The InChIKey is KYOFOKGELDIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-33-22-14-8-18(9-15-22)7-12-21-13-10-20-11-16-23(26(31)25(20)29-21)27(32)28-17-24(30)19-5-3-2-4-6-19/h2-16,24,30-31H,17H2,1H3,(H,28,32).
What are the key properties of 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide?
8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide is sourced from PubChem (CID 54020450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).