4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline

C18H13ClN4 — CID 129029224

IUPAC4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cnc4n[nH]c(C)c4c3)nc2c1
InChIInChI=1S/C18H13ClN4/c1-3-11-4-5-13-15(19)8-16(21-17(13)6-11)12-7-14-10(2)22-23-18(14)20-9-12/h3-9H,1H2,2H3,(H,20,22,23)
InChIKeyJNZJEEGZZBBZCV-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline

4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline (PubChem CID 129029224) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline.

Molecular Properties

Compound Name4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
PubChem CID129029224
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cnc4n[nH]c(C)c4c3)nc2c1
InChIInChI=1S/C18H13ClN4/c1-3-11-4-5-13-15(19)8-16(21-17(13)6-11)12-7-14-10(2)22-23-18(14)20-9-12/h3-9H,1H2,2H3,(H,20,22,23)
InChIKeyJNZJEEGZZBBZCV-UHFFFAOYSA-N
XLogP4.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
CID 129029246
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
CID 145292580
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
4-(4-chloro-7-ethenylquinolin-2-yl)aniline
CID 145292607
5-ethenyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 148629869
4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
CID 145292266
4-chloro-2-cyclopropyl-7-ethenylquinoline
CID 129029227
5-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)aniline
CID 90667364
N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
CID 129029252
4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
CID 166488562
3,5-dimethyl-2H-pyrazolo[3,4-b]pyridine
CID 59424411
(E)-N-[2-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide
CID 86301138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The IUPAC name of 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline (CID 129029224) is 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline.
What is the SMILES notation for 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The canonical SMILES for 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline is C=Cc1ccc2c(Cl)cc(-c3cnc4n[nH]c(C)c4c3)nc2c1.
What is the InChIKey of 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The InChIKey is JNZJEEGZZBBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c1-3-11-4-5-13-15(19)8-16(21-17(13)6-11)12-7-14-10(2)22-23-18(14)20-9-12/h3-9H,1H2,2H3,(H,20,22,23).
What are the key properties of 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline has a molecular weight of 320.78 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline is sourced from PubChem (CID 129029224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).