N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide

C25H22N2O3 — CID 2225663

IUPACN-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C25H22N2O3/c1-30-20-12-9-19(10-13-20)23(27-22(28)16-17-6-3-2-4-7-17)21-14-11-18-8-5-15-26-24(18)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyBCKQJEPNHUHCRN-HSZRJFAPSA-N
MW398.46 g/mol
LogP4.40
Rot. Bonds6

About N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide

N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 2225663) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
PubChem CID2225663
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C25H22N2O3/c1-30-20-12-9-19(10-13-20)23(27-22(28)16-17-6-3-2-4-7-17)21-14-11-18-8-5-15-26-24(18)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyBCKQJEPNHUHCRN-HSZRJFAPSA-N
XLogP4.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.40
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)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
CID 2876998
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide
CID 139029888
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
CID 57383852
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide (CID 2225663) is N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide is COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is BCKQJEPNHUHCRN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-30-20-12-9-19(10-13-20)23(27-22(28)16-17-6-3-2-4-7-17)21-14-11-18-8-5-15-26-24(18)25(21)29/h2-15,23,29H,16H2,1H3,(H,27,28)/t23-/m1/s1.
What are the key properties of N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide?
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 398.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 2225663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).