3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide

C26H24N4O4 — CID 139029888

IUPAC3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCC(=O)Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H24N4O4/c1-34-19-10-7-17(8-11-19)21(20-12-9-18-5-4-14-28-25(18)26(20)33)15-23(31)29-16-24(32)30-22-6-2-3-13-27-22/h2-14,21,33H,15-16H2,1H3,(H,29,31)(H,27,30,32)
InChIKeyLUZJUGYAEOFKNV-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.62
Rot. Bonds8

About 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide

3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide (PubChem CID 139029888) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide
PubChem CID139029888
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCC(=O)Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H24N4O4/c1-34-19-10-7-17(8-11-19)21(20-12-9-18-5-4-14-28-25(18)26(20)33)15-23(31)29-16-24(32)30-22-6-2-3-13-27-22/h2-14,21,33H,15-16H2,1H3,(H,29,31)(H,27,30,32)
InChIKeyLUZJUGYAEOFKNV-UHFFFAOYSA-N
XLogP3.62
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide with MolForge

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Related Compounds

N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
methyl 2-(4-methoxyphenyl)-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 138393821
7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966384
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide (CID 139029888) is 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide is COc1ccc(C(CC(=O)NCC(=O)Nc2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide?
The InChIKey is LUZJUGYAEOFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-34-19-10-7-17(8-11-19)21(20-12-9-18-5-4-14-28-25(18)26(20)33)15-23(31)29-16-24(32)30-22-6-2-3-13-27-22/h2-14,21,33H,15-16H2,1H3,(H,29,31)(H,27,30,32).
What are the key properties of 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide?
3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide has a molecular weight of 456.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 139029888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).