5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile

C19H10ClN3 — CID 57398011

IUPAC5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H10ClN3/c20-14-4-2-13(3-5-14)19-16-7-8-22-11-17(16)15-6-1-12(10-21)9-18(15)23-19/h1-9,11H
InChIKeyRGYUSOFVBUIIIT-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.98
Rot. Bonds1

About 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile

5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile (PubChem CID 57398011) has the molecular formula C19H10ClN3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile
PubChem CID57398011
Molecular FormulaC19H10ClN3
Molecular Weight315.76 g/mol
Exact Mass315.06
IUPAC Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H10ClN3/c20-14-4-2-13(3-5-14)19-16-7-8-22-11-17(16)15-6-1-12(10-21)9-18(15)23-19/h1-9,11H
InChIKeyRGYUSOFVBUIIIT-UHFFFAOYSA-N
XLogP4.98
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile (CID 57398011) is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile is N#Cc1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12.
What is the InChIKey of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile?
The InChIKey is RGYUSOFVBUIIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN3/c20-14-4-2-13(3-5-14)19-16-7-8-22-11-17(16)15-6-1-12(10-21)9-18(15)23-19/h1-9,11H.
What are the key properties of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile?
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile has a molecular weight of 315.76 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carbonitrile is sourced from PubChem (CID 57398011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).