2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C21H21N — CID 122224204

IUPAC2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3
InChIInChI=1S/C21H21N/c1-15-12-13-20-18(14-15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-19(17)22-20/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3
InChIKeyKEQUPKSNTFHUJA-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.48
Rot. Bonds1

About 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 122224204) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID122224204
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3
InChIInChI=1S/C21H21N/c1-15-12-13-20-18(14-15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-19(17)22-20/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3
InChIKeyKEQUPKSNTFHUJA-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
9-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 135026640
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
2-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)propan-2-ol
CID 82450358
5-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450327
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301
4-methyl-3-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1H-1,2,4-triazole-5-thione
CID 82450325
2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479722
4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 3321214
N-methyl-4-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3-thiazol-2-amine
CID 82450331
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 122224204) is 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is Cc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3.
What is the InChIKey of 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is KEQUPKSNTFHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15-12-13-20-18(14-15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-19(17)22-20/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 287.41 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 122224204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).