N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide

C24H19ClN2O3 — CID 2897585

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1
InChIInChI=1S/C24H19ClN2O3/c1-30-17-10-5-9-16(13-17)24(29)27-21(15-7-3-2-4-8-15)19-14-20(25)18-11-6-12-26-22(18)23(19)28/h2-14,21,28H,1H3,(H,27,29)
InChIKeyJDDZIBLXGVHHBX-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.12
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide (PubChem CID 2897585) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
PubChem CID2897585
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1
InChIInChI=1S/C24H19ClN2O3/c1-30-17-10-5-9-16(13-17)24(29)27-21(15-7-3-2-4-8-15)19-14-20(25)18-11-6-12-26-22(18)23(19)28/h2-14,21,28H,1H3,(H,27,29)
InChIKeyJDDZIBLXGVHHBX-UHFFFAOYSA-N
XLogP5.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.12
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide (CID 2897585) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide?
The InChIKey is JDDZIBLXGVHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-17-10-5-9-16(13-17)24(29)27-21(15-7-3-2-4-8-15)19-14-20(25)18-11-6-12-26-22(18)23(19)28/h2-14,21,28H,1H3,(H,27,29).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide has a molecular weight of 418.88 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide is sourced from PubChem (CID 2897585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).