7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile

C17H10N4O2 — CID 21422090

IUPAC7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile
SMILESN#Cc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1
InChIInChI=1S/C17H10N4O2/c18-9-11-7-5-10-6-8-14(20-15(10)19-11)21-16(22)12-3-1-2-4-13(12)17(21)23/h1-8,16,22H
InChIKeyXXRLVPWHPZUGAQ-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.15
Rot. Bonds1

About 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile

7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile (PubChem CID 21422090) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile
PubChem CID21422090
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Name7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile
SMILESN#Cc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1
InChIInChI=1S/C17H10N4O2/c18-9-11-7-5-10-6-8-14(20-15(10)19-11)21-16(22)12-3-1-2-4-13(12)17(21)23/h1-8,16,22H
InChIKeyXXRLVPWHPZUGAQ-UHFFFAOYSA-N
XLogP2.15
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile?
The IUPAC name of 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile (CID 21422090) is 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile.
What is the SMILES notation for 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile?
The canonical SMILES for 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile is N#Cc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1.
What is the InChIKey of 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile?
The InChIKey is XXRLVPWHPZUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2/c18-9-11-7-5-10-6-8-14(20-15(10)19-11)21-16(22)12-3-1-2-4-13(12)17(21)23/h1-8,16,22H.
What are the key properties of 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile?
7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile has a molecular weight of 302.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-1,8-naphthyridine-2-carbonitrile is sourced from PubChem (CID 21422090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).