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

C26H25ClN4O4 — CID 71208373

IUPAC6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N(CCO)CCO)nc1
InChIInChI=1S/C26H25ClN4O4/c27-20-7-8-22-23(14-20)31(21-4-2-1-3-5-21)17-19(25(22)34)16-29-26(35)18-6-9-24(28-15-18)30(10-12-32)11-13-33/h1-9,14-15,17,32-33H,10-13,16H2,(H,29,35)
InChIKeyRVJQZKKEANLZAL-UHFFFAOYSA-N
MW492.96 g/mol
LogP2.76
Rot. Bonds9

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

6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 71208373) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID71208373
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N(CCO)CCO)nc1
InChIInChI=1S/C26H25ClN4O4/c27-20-7-8-22-23(14-20)31(21-4-2-1-3-5-21)17-19(25(22)34)16-29-26(35)18-6-9-24(28-15-18)30(10-12-32)11-13-33/h1-9,14-15,17,32-33H,10-13,16H2,(H,29,35)
InChIKeyRVJQZKKEANLZAL-UHFFFAOYSA-N
XLogP2.76
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide (CID 71208373) is 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N(CCO)CCO)nc1.
What is the InChIKey of 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RVJQZKKEANLZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c27-20-7-8-22-23(14-20)31(21-4-2-1-3-5-21)17-19(25(22)34)16-29-26(35)18-6-9-24(28-15-18)30(10-12-32)11-13-33/h1-9,14-15,17,32-33H,10-13,16H2,(H,29,35).
What are the key properties of 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 492.96 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71208373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).