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

C22H16ClN3O2 — CID 2896518

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1
InChIInChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28)
InChIKeyQDYVWPBPZWJQMG-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.51
Rot. Bonds4

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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 2896518) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID2896518
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1
InChIInChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28)
InChIKeyQDYVWPBPZWJQMG-UHFFFAOYSA-N
XLogP4.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.51
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]pyridine-3-carboxamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide (CID 2896518) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is QDYVWPBPZWJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-18-12-17(21(27)20-16(18)9-5-11-25-20)19(14-6-2-1-3-7-14)26-22(28)15-8-4-10-24-13-15/h1-13,19,27H,(H,26,28).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 4.51, 4 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]pyridine-3-carboxamide is sourced from PubChem (CID 2896518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).