N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H13ClN4O2 — CID 21362716

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)on1
InChIInChI=1S/C17H13ClN4O2/c1-9-4-11(24-22-9)7-16(23)20-14-6-10(18)5-13-12-2-3-19-8-15(12)21-17(13)14/h2-6,8,21H,7H2,1H3,(H,20,23)
InChIKeyTVPTWQPANVVPMI-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.85
Rot. Bonds3

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 21362716) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID21362716
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)on1
InChIInChI=1S/C17H13ClN4O2/c1-9-4-11(24-22-9)7-16(23)20-14-6-10(18)5-13-12-2-3-19-8-15(12)21-17(13)14/h2-6,8,21H,7H2,1H3,(H,20,23)
InChIKeyTVPTWQPANVVPMI-UHFFFAOYSA-N
XLogP3.85
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 21362716) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)on1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is TVPTWQPANVVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-9-4-11(24-22-9)7-16(23)20-14-6-10(18)5-13-12-2-3-19-8-15(12)21-17(13)14/h2-6,8,21H,7H2,1H3,(H,20,23).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 340.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 21362716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).