N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide

C24H20N2O2 — CID 146474984

IUPACN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccccc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H20N2O2/c1-16-7-5-10-19(15-16)24(28)26-21(17-8-3-2-4-9-17)20-13-12-18-11-6-14-25-22(18)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyLMXMJXWOWWWCFS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.77
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide

N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide (PubChem CID 146474984) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
PubChem CID146474984
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccccc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H20N2O2/c1-16-7-5-10-19(15-16)24(28)26-21(17-8-3-2-4-9-17)20-13-12-18-11-6-14-25-22(18)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyLMXMJXWOWWWCFS-UHFFFAOYSA-N
XLogP4.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.77
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)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
CID 146474860
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-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide (CID 146474984) is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(c2ccccc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide?
The InChIKey is LMXMJXWOWWWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-7-5-10-19(15-16)24(28)26-21(17-8-3-2-4-9-17)20-13-12-18-11-6-14-25-22(18)23(20)27/h2-15,21,27H,1H3,(H,26,28).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide?
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide is sourced from PubChem (CID 146474984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).