5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride

C15H13Cl2N5 — CID 118596411

IUPAC5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.Nc1ncnc2[nH]cc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C15H11N5.2ClH/c16-14-13-11(7-18-15(13)20-8-19-14)10-5-9-3-1-2-4-12(9)17-6-10;;/h1-8H,(H3,16,18,19,20);2*1H
InChIKeyWFVUIACUCHUYJS-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.60
Rot. Bonds1

About 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride

5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 118596411) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
PubChem CID118596411
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.Nc1ncnc2[nH]cc(-c3cnc4ccccc4c3)c12
InChIInChI=1S/C15H11N5.2ClH/c16-14-13-11(7-18-15(13)20-8-19-14)10-5-9-3-1-2-4-12(9)17-6-10;;/h1-8H,(H3,16,18,19,20);2*1H
InChIKeyWFVUIACUCHUYJS-UHFFFAOYSA-N
XLogP3.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride with MolForge

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Related Compounds

3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67500514
2-quinolin-3-ylaniline
CID 4134401
5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118034586
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67501721
7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 150330837
8-N-methyl-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizine-4,8-diamine
CID 86711284
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
3-(2,3-dichlorophenyl)quinoline
CID 175328556

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride (CID 118596411) is 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride is Cl.Cl.Nc1ncnc2[nH]cc(-c3cnc4ccccc4c3)c12.
What is the InChIKey of 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is WFVUIACUCHUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5.2ClH/c16-14-13-11(7-18-15(13)20-8-19-14)10-5-9-3-1-2-4-12(9)17-6-10;;/h1-8H,(H3,16,18,19,20);2*1H.
What are the key properties of 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride?
5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 334.21 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 118596411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).