4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline

C17H15N3 — CID 117030169

IUPAC4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
SMILESNc1ccc(N2CCc3cc4ccccc4nc32)cc1
InChIInChI=1S/C17H15N3/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)19-17(13)20/h1-8,11H,9-10,18H2
InChIKeyABJIPGBXCCUGPY-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.51
Rot. Bonds1

About 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline

4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline (PubChem CID 117030169) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline.

Molecular Properties

Compound Name4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
PubChem CID117030169
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
SMILESNc1ccc(N2CCc3cc4ccccc4nc32)cc1
InChIInChI=1S/C17H15N3/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)19-17(13)20/h1-8,11H,9-10,18H2
InChIKeyABJIPGBXCCUGPY-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-amine
CID 117030151
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
CID 117030156
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
CID 117030198
7-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinoline
CID 18846762
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-pyridin-2-ylbenzamide
CID 18859131
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
CID 117030152
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996187
2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
CID 66000715
3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
CID 18859211

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline?
The IUPAC name of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline (CID 117030169) is 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline.
What is the SMILES notation for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline?
The canonical SMILES for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline is Nc1ccc(N2CCc3cc4ccccc4nc32)cc1.
What is the InChIKey of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline?
The InChIKey is ABJIPGBXCCUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)19-17(13)20/h1-8,11H,9-10,18H2.
What are the key properties of 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline?
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline has a molecular weight of 261.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline is sourced from PubChem (CID 117030169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).