4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole

C18H13ClN2O — CID 68737747

IUPAC4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3[nH]c4nccc(Cl)c4c3c2)cc1
InChIInChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)12-4-7-16-14(10-12)17-15(19)8-9-20-18(17)21-16/h2-10H,1H3,(H,20,21)
InChIKeyYHNNVFBNCZQKOP-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.05
Rot. Bonds2

About 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole

4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole (PubChem CID 68737747) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole
PubChem CID68737747
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3[nH]c4nccc(Cl)c4c3c2)cc1
InChIInChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)12-4-7-16-14(10-12)17-15(19)8-9-20-18(17)21-16/h2-10H,1H3,(H,20,21)
InChIKeyYHNNVFBNCZQKOP-UHFFFAOYSA-N
XLogP5.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole (CID 68737747) is 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole is COc1ccc(-c2ccc3[nH]c4nccc(Cl)c4c3c2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is YHNNVFBNCZQKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-22-13-5-2-11(3-6-13)12-4-7-16-14(10-12)17-15(19)8-9-20-18(17)21-16/h2-10H,1H3,(H,20,21).
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole?
4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 308.77 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 68737747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).