3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline

C13H11ClN2 — CID 115419533

IUPAC3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
SMILESCC1Cc2cc(Cl)nnc2-c2ccccc21
InChIInChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3
InChIKeyMPPROGGLZYUJRS-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.46
Rot. Bonds

About 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline

3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline (PubChem CID 115419533) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline.

Molecular Properties

Compound Name3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
PubChem CID115419533
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
SMILESCC1Cc2cc(Cl)nnc2-c2ccccc21
InChIInChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3
InChIKeyMPPROGGLZYUJRS-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-6-methyl-5,6-dihydrobenzo[h]quinazoline
CID 115420771
ethyl 2,6-dimethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate
CID 115917517
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
CID 54053065
4,10-dimethyl-9,10-dihydrophenanthrene
CID 144612931
2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 116533757
13-methyl-5-propan-2-yl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
CID 154625419
2-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)aniline
CID 115419375
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
6-methyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinazoline
CID 102255496
13-methyl-5-propyl-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaene
CID 144565989
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?
The IUPAC name of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline (CID 115419533) is 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline.
What is the SMILES notation for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?
The canonical SMILES for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline is CC1Cc2cc(Cl)nnc2-c2ccccc21.
What is the InChIKey of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?
The InChIKey is MPPROGGLZYUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?
3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline has a molecular weight of 230.70 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline is sourced from PubChem (CID 115419533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).