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

C16H13FN2 — CID 152758496

IUPAC2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(C=C3C=C(F)C=CC31)N=C1C=CC=CC12
InChIInChI=1S/C16H13FN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9,12,15H,1H3
InChIKeySFNLBLYREDSEOM-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.06
Rot. Bonds

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

2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (PubChem CID 152758496) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
PubChem CID152758496
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(C=C3C=C(F)C=CC31)N=C1C=CC=CC12
InChIInChI=1S/C16H13FN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9,12,15H,1H3
InChIKeySFNLBLYREDSEOM-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-6,7-dihydroindolo[2,3-a]quinolizine
CID 10933868
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6,8-bis(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136271336
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
2,7-Dibromo-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 153274804
n-Methylharman
CID 23113700
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The IUPAC name of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (CID 152758496) is 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.
What is the SMILES notation for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The canonical SMILES for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is CN1C2=C(C=C3C=C(F)C=CC31)N=C1C=CC=CC12.
What is the InChIKey of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The InChIKey is SFNLBLYREDSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9,12,15H,1H3.
What are the key properties of 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline has a molecular weight of 252.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is sourced from PubChem (CID 152758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).