2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine

C16H11Cl2N3 — CID 19867692

IUPAC2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine
SMILESClc1ccc2ccc(N3Cc4ccccc4C3Cl)nc2n1
InChIInChI=1S/C16H11Cl2N3/c17-13-7-5-10-6-8-14(20-16(10)19-13)21-9-11-3-1-2-4-12(11)15(21)18/h1-8,15H,9H2
InChIKeyIKXNAAZNNMTZST-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.54
Rot. Bonds1

About 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine

2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine (PubChem CID 19867692) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine
PubChem CID19867692
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine
SMILESClc1ccc2ccc(N3Cc4ccccc4C3Cl)nc2n1
InChIInChI=1S/C16H11Cl2N3/c17-13-7-5-10-6-8-14(20-16(10)19-13)21-9-11-3-1-2-4-12(11)15(21)18/h1-8,15H,9H2
InChIKeyIKXNAAZNNMTZST-UHFFFAOYSA-N
XLogP4.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine?
The IUPAC name of 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine (CID 19867692) is 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine?
The canonical SMILES for 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine is Clc1ccc2ccc(N3Cc4ccccc4C3Cl)nc2n1.
What is the InChIKey of 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine?
The InChIKey is IKXNAAZNNMTZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3/c17-13-7-5-10-6-8-14(20-16(10)19-13)21-9-11-3-1-2-4-12(11)15(21)18/h1-8,15H,9H2.
What are the key properties of 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine?
2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine has a molecular weight of 316.19 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(1-chloro-1,3-dihydroisoindol-2-yl)-1,8-naphthyridine is sourced from PubChem (CID 19867692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).