4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C17H14N4O — CID 56892933

IUPAC4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc(-c2cc(N)nc3[nH]ccc23)c2cccnc12
InChIInChI=1S/C17H14N4O/c1-22-14-5-4-10(11-3-2-7-19-16(11)14)13-9-15(18)21-17-12(13)6-8-20-17/h2-9H,1H3,(H3,18,20,21)
InChIKeyZJPVJPFBLKRLPR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.37
Rot. Bonds2

About 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56892933) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56892933
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc(-c2cc(N)nc3[nH]ccc23)c2cccnc12
InChIInChI=1S/C17H14N4O/c1-22-14-5-4-10(11-3-2-7-19-16(11)14)13-9-15(18)21-17-12(13)6-8-20-17/h2-9H,1H3,(H3,18,20,21)
InChIKeyZJPVJPFBLKRLPR-UHFFFAOYSA-N
XLogP3.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
Rwj-68354
CID 9819053
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-amine
CID 20744789
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-amine
CID 23647580
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56892933) is 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is COc1ccc(-c2cc(N)nc3[nH]ccc23)c2cccnc12.
What is the InChIKey of 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZJPVJPFBLKRLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-14-5-4-10(11-3-2-7-19-16(11)14)13-9-15(18)21-17-12(13)6-8-20-17/h2-9H,1H3,(H3,18,20,21).
What are the key properties of 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 290.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56892933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).