[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate

C21H19ClN4O3 — CID 22754741

IUPAC[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C21H19ClN4O3/c1-3-25(4-2)21(28)29-20-15-8-6-5-7-14(15)19(27)26(20)17-12-10-13-9-11-16(22)23-18(13)24-17/h5-12,20H,3-4H2,1-2H3
InChIKeyCJNJVURKPYAYOF-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.42
Rot. Bonds4

About [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate

[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate (PubChem CID 22754741) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate
PubChem CID22754741
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C21H19ClN4O3/c1-3-25(4-2)21(28)29-20-15-8-6-5-7-14(15)19(27)26(20)17-12-10-13-9-11-16(22)23-18(13)24-17/h5-12,20H,3-4H2,1-2H3
InChIKeyCJNJVURKPYAYOF-UHFFFAOYSA-N
XLogP4.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] butanoate
CID 57243056
[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 21422088
N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide
CID 19867677
2-(7-chloro-1,8-naphthyridin-2-yl)-3-(2-oxo-3-propan-2-yloxypropyl)-3H-isoindol-1-one
CID 22163846
2-(7-chloro-1,8-naphthyridin-2-yl)-3-[3-(dimethylamino)propylamino]-3H-isoindol-1-one
CID 19867671
2-hydroxy-2-[2-(7-methyl-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]-N-propylacetamide
CID 19867647
2-[1-tert-butyl-2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxoisoindol-1-yl]acetic acid
CID 21288073
[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] phenyl carbonate
CID 23343645
[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N-cyclohexylcarbamate
CID 22754762
2-(7-methoxy-1,8-naphthyridin-2-yl)-3-[3-(4-methylpiperazin-1-yl)propoxy]-3H-isoindol-1-one
CID 14209194
bis(but-2-enedioic acid);2-(7-methoxy-1,8-naphthyridin-2-yl)-3-[3-(4-methylpiperazin-1-yl)propoxy]-3H-isoindol-1-one
CID 70374062
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459

Frequently Asked Questions

What is the IUPAC name of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate?
The IUPAC name of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate (CID 22754741) is [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate.
What is the SMILES notation for [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate?
The canonical SMILES for [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate is CCN(CC)C(=O)OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate?
The InChIKey is CJNJVURKPYAYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-3-25(4-2)21(28)29-20-15-8-6-5-7-14(15)19(27)26(20)17-12-10-13-9-11-16(22)23-18(13)24-17/h5-12,20H,3-4H2,1-2H3.
What are the key properties of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate?
[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate has a molecular weight of 410.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 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-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate is sourced from PubChem (CID 22754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).