N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

C26H23ClN4O3 — CID 71208448

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CC[C@@H](O)C2)nc1
InChIInChI=1S/C26H23ClN4O3/c27-19-7-8-22-23(12-19)31(20-4-2-1-3-5-20)15-18(25(22)33)14-29-26(34)17-6-9-24(28-13-17)30-11-10-21(32)16-30/h1-9,12-13,15,21,32H,10-11,14,16H2,(H,29,34)/t21-/m1/s1
InChIKeyRXQOHABDWUHHHQ-OAQYLSRUSA-N
MW474.95 g/mol
LogP3.54
Rot. Bonds5

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 71208448) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID71208448
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CC[C@@H](O)C2)nc1
InChIInChI=1S/C26H23ClN4O3/c27-19-7-8-22-23(12-19)31(20-4-2-1-3-5-20)15-18(25(22)33)14-29-26(34)17-6-9-24(28-13-17)30-11-10-21(32)16-30/h1-9,12-13,15,21,32H,10-11,14,16H2,(H,29,34)/t21-/m1/s1
InChIKeyRXQOHABDWUHHHQ-OAQYLSRUSA-N
XLogP3.54
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.54
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-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (CID 71208448) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CC[C@@H](O)C2)nc1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RXQOHABDWUHHHQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c27-19-7-8-22-23(12-19)31(20-4-2-1-3-5-20)15-18(25(22)33)14-29-26(34)17-6-9-24(28-13-17)30-11-10-21(32)16-30/h1-9,12-13,15,21,32H,10-11,14,16H2,(H,29,34)/t21-/m1/s1.
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 3.54, 5 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-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71208448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).