N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide

C24H20N2O3 — CID 1369908

IUPACN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-12-9-17(10-13-19)21(26-24(28)18-6-3-2-4-7-18)20-14-11-16-8-5-15-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)/t21-/m0/s1
InChIKeyUNCSTXORGBARFG-NRFANRHFSA-N
MW384.44 g/mol
LogP4.47
Rot. Bonds5

About N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide

N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide (PubChem CID 1369908) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
PubChem CID1369908
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-12-9-17(10-13-19)21(26-24(28)18-6-3-2-4-7-18)20-14-11-16-8-5-15-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)/t21-/m0/s1
InChIKeyUNCSTXORGBARFG-NRFANRHFSA-N
XLogP4.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
CID 146474860
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
CID 2259163
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide (CID 1369908) is N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide is COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide?
The InChIKey is UNCSTXORGBARFG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-19-12-9-17(10-13-19)21(26-24(28)18-6-3-2-4-7-18)20-14-11-16-8-5-15-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide?
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1369908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).