N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide

C18H12ClN3O — CID 21362674

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1
InChIInChI=1S/C18H12ClN3O/c19-12-8-14-13-6-7-20-10-16(13)21-17(14)15(9-12)22-18(23)11-4-2-1-3-5-11/h1-10,21H,(H,22,23)
InChIKeyHSOCWLKMVJTAGZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.62
Rot. Bonds2

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide (PubChem CID 21362674) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide
PubChem CID21362674
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1
InChIInChI=1S/C18H12ClN3O/c19-12-8-14-13-6-7-20-10-16(13)21-17(14)15(9-12)22-18(23)11-4-2-1-3-5-11/h1-10,21H,(H,22,23)
InChIKeyHSOCWLKMVJTAGZ-UHFFFAOYSA-N
XLogP4.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide (CID 21362674) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide is O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide?
The InChIKey is HSOCWLKMVJTAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-12-8-14-13-6-7-20-10-16(13)21-17(14)15(9-12)22-18(23)11-4-2-1-3-5-11/h1-10,21H,(H,22,23).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide has a molecular weight of 321.77 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)benzamide is sourced from PubChem (CID 21362674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).