2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one

C23H21ClN4O3 — CID 10026065

IUPAC2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
SMILESO=C(CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC(O)CC1
InChIInChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(16-3-1-2-4-17(16)23(28)31)13-21(30)27-11-9-15(29)10-12-27/h1-8,15,18,29H,9-13H2
InChIKeyMENRZGQHZLNTSV-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.36
Rot. Bonds3

About 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one

2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one (PubChem CID 10026065) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
PubChem CID10026065
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
SMILESO=C(CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC(O)CC1
InChIInChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(16-3-1-2-4-17(16)23(28)31)13-21(30)27-11-9-15(29)10-12-27/h1-8,15,18,29H,9-13H2
InChIKeyMENRZGQHZLNTSV-UHFFFAOYSA-N
XLogP3.36
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one?
The IUPAC name of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one (CID 10026065) is 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one is O=C(CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCC(O)CC1.
What is the InChIKey of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one?
The InChIKey is MENRZGQHZLNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-19-7-5-14-6-8-20(26-22(14)25-19)28-18(16-3-1-2-4-17(16)23(28)31)13-21(30)27-11-9-15(29)10-12-27/h1-8,15,18,29H,9-13H2.
What are the key properties of 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one?
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one has a molecular weight of 436.90 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3H-isoindol-1-one is sourced from PubChem (CID 10026065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).