N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide

C25H23ClN4O3 — CID 71208582

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CCO)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1
InChIInChI=1S/C25H23ClN4O3/c1-29(11-12-31)23-10-7-17(14-27-23)25(33)28-15-18-16-30(20-5-3-2-4-6-20)22-13-19(26)8-9-21(22)24(18)32/h2-10,13-14,16,31H,11-12,15H2,1H3,(H,28,33)
InChIKeyNMTYKBQYPRRZQC-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.40
Rot. Bonds7

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 71208582) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
PubChem CID71208582
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CCO)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1
InChIInChI=1S/C25H23ClN4O3/c1-29(11-12-31)23-10-7-17(14-27-23)25(33)28-15-18-16-30(20-5-3-2-4-6-20)22-13-19(26)8-9-21(22)24(18)32/h2-10,13-14,16,31H,11-12,15H2,1H3,(H,28,33)
InChIKeyNMTYKBQYPRRZQC-UHFFFAOYSA-N
XLogP3.40
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide (CID 71208582) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide is CN(CCO)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is NMTYKBQYPRRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-29(11-12-31)23-10-7-17(14-27-23)25(33)28-15-18-16-30(20-5-3-2-4-6-20)22-13-19(26)8-9-21(22)24(18)32/h2-10,13-14,16,31H,11-12,15H2,1H3,(H,28,33).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 71208582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).