N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide

C20H14ClN3O3 — CID 2897057

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccco1)c1cc(Cl)c2cccnc2c1O)c1cccnc1
InChIInChI=1S/C20H14ClN3O3/c21-15-10-14(19(25)18-13(15)5-2-8-23-18)17(16-6-3-9-27-16)24-20(26)12-4-1-7-22-11-12/h1-11,17,25H,(H,24,26)
InChIKeyNOSJDLVTDMTHKP-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.10
Rot. Bonds4

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 2897057) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide
PubChem CID2897057
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccco1)c1cc(Cl)c2cccnc2c1O)c1cccnc1
InChIInChI=1S/C20H14ClN3O3/c21-15-10-14(19(25)18-13(15)5-2-8-23-18)17(16-6-3-9-27-16)24-20(26)12-4-1-7-22-11-12/h1-11,17,25H,(H,24,26)
InChIKeyNOSJDLVTDMTHKP-UHFFFAOYSA-N
XLogP4.10
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(furan-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide (CID 2897057) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide is O=C(NC(c1ccco1)c1cc(Cl)c2cccnc2c1O)c1cccnc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NOSJDLVTDMTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-15-10-14(19(25)18-13(15)5-2-8-23-18)17(16-6-3-9-27-16)24-20(26)12-4-1-7-22-11-12/h1-11,17,25H,(H,24,26).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 2897057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).