5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline

C22H21N — CID 143515929

IUPAC5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline
SMILESCc1cc(C)cc(N2CC3=C(CC=CC=C3)c3ccccc32)c1
InChIInChI=1S/C22H21N/c1-16-12-17(2)14-19(13-16)23-15-18-8-4-3-5-9-20(18)21-10-6-7-11-22(21)23/h3-8,10-14H,9,15H2,1-2H3
InChIKeyXVBNWRPHHBNKOT-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.72
Rot. Bonds1

About 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline

5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline (PubChem CID 143515929) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline
PubChem CID143515929
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline
SMILESCc1cc(C)cc(N2CC3=C(CC=CC=C3)c3ccccc32)c1
InChIInChI=1S/C22H21N/c1-16-12-17(2)14-19(13-16)23-15-18-8-4-3-5-9-20(18)21-10-6-7-11-22(21)23/h3-8,10-14H,9,15H2,1-2H3
InChIKeyXVBNWRPHHBNKOT-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3,5-dimethylphenyl)-2H-quinoxaline
CID 174811406
(3Z,5Z)-9-methyl-7-methylidene-1-phenyl-2H-1-benzazonine
CID 122491547
2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
CID 79049664
(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine
CID 90061362
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
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CID 145097128
5-methyl-10H-cyclohepta[b][1]benzoborole
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CID 58654783
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
2,7-di(cyclohexa-2,4-dien-1-ylidene)-9-[6-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]carbazole
CID 171929927

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline?
The IUPAC name of 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline (CID 143515929) is 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline?
The canonical SMILES for 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline is Cc1cc(C)cc(N2CC3=C(CC=CC=C3)c3ccccc32)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline?
The InChIKey is XVBNWRPHHBNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-16-12-17(2)14-19(13-16)23-15-18-8-4-3-5-9-20(18)21-10-6-7-11-22(21)23/h3-8,10-14H,9,15H2,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline?
5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline has a molecular weight of 299.42 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline is sourced from PubChem (CID 143515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).