6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine

C17H16Cl2N2 — CID 6447457

IUPAC6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESClc1ccc(/C=C/CN2CCc3ncccc3C2)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2/c18-15-6-5-13(16(19)11-15)4-2-9-21-10-7-17-14(12-21)3-1-8-20-17/h1-6,8,11H,7,9-10,12H2/b4-2+
InChIKeyNTXLKEUMBZLSKE-DUXPYHPUSA-N
MW319.24 g/mol
LogP4.46
Rot. Bonds3

About 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 6447457) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID6447457
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESClc1ccc(/C=C/CN2CCc3ncccc3C2)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2/c18-15-6-5-13(16(19)11-15)4-2-9-21-10-7-17-14(12-21)3-1-8-20-17/h1-6,8,11H,7,9-10,12H2/b4-2+
InChIKeyNTXLKEUMBZLSKE-DUXPYHPUSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 6447457) is 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine is Clc1ccc(/C=C/CN2CCc3ncccc3C2)c(Cl)c1.
What is the InChIKey of 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is NTXLKEUMBZLSKE-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c18-15-6-5-13(16(19)11-15)4-2-9-21-10-7-17-14(12-21)3-1-8-20-17/h1-6,8,11H,7,9-10,12H2/b4-2+.
What are the key properties of 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 319.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 6447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).