4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C24H16ClFN4O2 — CID 56592378

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO
InChIInChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2
InChIKeyXKABKPDKOWFEAO-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.46
Rot. Bonds4

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 56592378) has the molecular formula C24H16ClFN4O2 and a molecular weight of 446.87 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID56592378
Molecular FormulaC24H16ClFN4O2
Molecular Weight446.87 g/mol
Exact Mass446.09
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO
InChIInChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2
InChIKeyXKABKPDKOWFEAO-UHFFFAOYSA-N
XLogP4.46
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one with MolForge

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Related Compounds

4-[[2-(5-Chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 11524054
3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methyl-
CID 11855958
4-[4-(4-Chlorophenyl)piperazine-1-carbonyl]-1-(piperidin-1-YL)isoquinoline
CID 16031336
[4-(3-Chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone
CID 16187935
2-Amino-7-chloro-5-methyl-6-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 71449774
(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 71455843
4-[[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 155532120
[2-(3-Chlorophenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 2965490
N-(4-chlorophenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 3241819
N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 3243207
4-[4-(3-Chlorophenyl)piperazine-1-carbonyl]-1-(piperidin-1-YL)isoquinoline
CID 16031309
US10106501, Example DO
CID 124123421

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 56592378) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is XKABKPDKOWFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 446.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).