11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

C16H12ClFN2 — CID 152743871

IUPAC11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(N=C3C=CC=C(F)C32)C(Cl)=C2C=CC=CC21
InChIInChI=1S/C16H12ClFN2/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15/h2-8,12-13H,1H3
InChIKeyMWRIQBFAEUKDQN-UHFFFAOYSA-N
MW286.74 g/mol
LogP3.62
Rot. Bonds

About 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline

11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (PubChem CID 152743871) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.

Molecular Properties

Compound Name11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
PubChem CID152743871
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
SMILESCN1C2=C(N=C3C=CC=C(F)C32)C(Cl)=C2C=CC=CC21
InChIInChI=1S/C16H12ClFN2/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15/h2-8,12-13H,1H3
InChIKeyMWRIQBFAEUKDQN-UHFFFAOYSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-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
2-[(2Z)-4-chloro-3-fluoro-2-(2-methylbutylidene)-1-pyridinyl]-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 164593902
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline;hydrochloride
CID 172019443
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019444
6,7-Difluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019570

Frequently Asked Questions

What is the IUPAC name of 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The IUPAC name of 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline (CID 152743871) is 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline.
What is the SMILES notation for 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The canonical SMILES for 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is CN1C2=C(N=C3C=CC=C(F)C32)C(Cl)=C2C=CC=CC21.
What is the InChIKey of 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
The InChIKey is MWRIQBFAEUKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-20-12-8-3-2-5-9(12)14(17)15-16(20)13-10(18)6-4-7-11(13)19-15/h2-8,12-13H,1H3.
What are the key properties of 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline?
11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline has a molecular weight of 286.74 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-6-fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline is sourced from PubChem (CID 152743871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).