5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline

C19H20N2 — CID 152782800

IUPAC5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCCCCN1C2=C(C=C3C=CC=CC31)N=C1C=CC=CC12
InChIInChI=1S/C19H20N2/c1-2-3-12-21-18-11-7-4-8-14(18)13-17-19(21)15-9-5-6-10-16(15)20-17/h4-11,13,15,18H,2-3,12H2,1H3
InChIKeySAQOACQWVULKHS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds3

About 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline

5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline (PubChem CID 152782800) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline.

Molecular Properties

Compound Name5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline
PubChem CID152782800
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCCCCN1C2=C(C=C3C=CC=CC31)N=C1C=CC=CC12
InChIInChI=1S/C19H20N2/c1-2-3-12-21-18-11-7-4-8-14(18)13-17-19(21)15-9-5-6-10-16(15)20-17/h4-11,13,15,18H,2-3,12H2,1H3
InChIKeySAQOACQWVULKHS-UHFFFAOYSA-N
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
3-Ethyl-6,7-dihydroindolo[2,3-a]quinolizine
CID 10933868
11-Chloro-7-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148240421
7-Fluoro-11-iodo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148240422
9-Fluoro-11-iodo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 148241285
11-Chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743871
11-Chloro-8-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743877
11-Chloro-9-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152743879
11-Chloro-2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152758493
2-Fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152758496
2,7-Dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 153274804
n-Methylharman
CID 23113700

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The IUPAC name of 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline (CID 152782800) is 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline.
What is the SMILES notation for 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The canonical SMILES for 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline is CCCCN1C2=C(C=C3C=CC=CC31)N=C1C=CC=CC12.
What is the InChIKey of 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The InChIKey is SAQOACQWVULKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-3-12-21-18-11-7-4-8-14(18)13-17-19(21)15-9-5-6-10-16(15)20-17/h4-11,13,15,18H,2-3,12H2,1H3.
What are the key properties of 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline?
5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline has a molecular weight of 276.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4a,5b-dihydroindolo[3,2-b]quinoline is sourced from PubChem (CID 152782800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).