N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide

C27H20N2O2 — CID 2173643

IUPACN-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
SMILESO=C(N[C@@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C27H20N2O2/c30-26-23(15-14-19-11-6-16-28-25(19)26)24(29-27(31)20-8-2-1-3-9-20)22-13-12-18-7-4-5-10-21(18)17-22/h1-17,24,30H,(H,29,31)/t24-/m0/s1
InChIKeyJOLVTJDJGLWIHV-DEOSSOPVSA-N
MW404.47 g/mol
LogP5.61
Rot. Bonds4

About N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide

N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide (PubChem CID 2173643) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
PubChem CID2173643
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC NameN-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
SMILESO=C(N[C@@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C27H20N2O2/c30-26-23(15-14-19-11-6-16-28-25(19)26)24(29-27(31)20-8-2-1-3-9-20)22-13-12-18-7-4-5-10-21(18)17-22/h1-17,24,30H,(H,29,31)/t24-/m0/s1
InChIKeyJOLVTJDJGLWIHV-DEOSSOPVSA-N
XLogP5.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
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-[(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-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide?
The IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide (CID 2173643) is N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide.
What is the SMILES notation for N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide?
The canonical SMILES for N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide is O=C(N[C@@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide?
The InChIKey is JOLVTJDJGLWIHV-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H20N2O2/c30-26-23(15-14-19-11-6-16-28-25(19)26)24(29-27(31)20-8-2-1-3-9-20)22-13-12-18-7-4-5-10-21(18)17-22/h1-17,24,30H,(H,29,31)/t24-/m0/s1.
What are the key properties of N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide?
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide is sourced from PubChem (CID 2173643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).