10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine

C18H12ClN3 — CID 135626369

IUPAC10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESClc1cccc2c1Nc1ncccc1N=C2c1ccccc1
InChIInChI=1S/C18H12ClN3/c19-14-9-4-8-13-16(12-6-2-1-3-7-12)21-15-10-5-11-20-18(15)22-17(13)14/h1-11H,(H,20,22)
InChIKeyZUGFFEFBLIEGDL-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.96
Rot. Bonds1

About 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine

10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 135626369) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID135626369
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESClc1cccc2c1Nc1ncccc1N=C2c1ccccc1
InChIInChI=1S/C18H12ClN3/c19-14-9-4-8-13-16(12-6-2-1-3-7-12)21-15-10-5-11-20-18(15)22-17(13)14/h1-11H,(H,20,22)
InChIKeyZUGFFEFBLIEGDL-UHFFFAOYSA-N
XLogP4.96
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 135626369) is 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine is Clc1cccc2c1Nc1ncccc1N=C2c1ccccc1.
What is the InChIKey of 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is ZUGFFEFBLIEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-14-9-4-8-13-16(12-6-2-1-3-7-12)21-15-10-5-11-20-18(15)22-17(13)14/h1-11H,(H,20,22).
What are the key properties of 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine?
10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 305.77 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 135626369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).