4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide

C23H20N4O2 — CID 146475050

IUPAC4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H20N4O2/c1-24-23(29)17-9-7-16(8-10-17)20(27-19-6-2-3-13-25-19)18-12-11-15-5-4-14-26-21(15)22(18)28/h2-14,20,28H,1H3,(H,24,29)(H,25,27)
InChIKeyXEUWLZIFNZQGHK-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.90
Rot. Bonds5

About 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide

4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide (PubChem CID 146475050) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
PubChem CID146475050
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H20N4O2/c1-24-23(29)17-9-7-16(8-10-17)20(27-19-6-2-3-13-25-19)18-12-11-15-5-4-14-26-21(15)22(18)28/h2-14,20,28H,1H3,(H,24,29)(H,25,27)
InChIKeyXEUWLZIFNZQGHK-UHFFFAOYSA-N
XLogP3.90
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
7-[(2-chloro-5-hydroxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 3388948
7-[(R)-(5-methylthiophen-2-yl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1228836
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
4-[(8-hydroxy-2-methylquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzaldehyde
CID 154999220

Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide (CID 146475050) is 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide?
The InChIKey is XEUWLZIFNZQGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-24-23(29)17-9-7-16(8-10-17)20(27-19-6-2-3-13-25-19)18-12-11-15-5-4-14-26-21(15)22(18)28/h2-14,20,28H,1H3,(H,24,29)(H,25,27).
What are the key properties of 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide?
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 146475050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).