6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline

C16H17N — CID 90774694

IUPAC6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline
SMILESCC1=CC(c2ccc3c(c2)CCC=N3)CC=C1
InChIInChI=1S/C16H17N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2,4,7-11,13H,3,5-6H2,1H3
InChIKeyDRLZKLCKEIGMKR-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.32
Rot. Bonds1

About 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline

6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline (PubChem CID 90774694) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline.

Molecular Properties

Compound Name6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline
PubChem CID90774694
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline
SMILESCC1=CC(c2ccc3c(c2)CCC=N3)CC=C1
InChIInChI=1S/C16H17N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2,4,7-11,13H,3,5-6H2,1H3
InChIKeyDRLZKLCKEIGMKR-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylcyclohexa-2,4-dien-1-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143872250
2-ethoxy-3,3-dimethyl-6-(3-methylcyclohexa-2,4-dien-1-yl)-1,2λ5-benzoxaphosphole 2-oxide
CID 126491615
2-methyl-4-[3-[3-methyl-4-(2-methylphenyl)phenyl]cyclohexa-1,5-dien-1-yl]-1-(2-methylphenyl)benzene
CID 144640514
8-methyl-4a,5-dihydroquinoline
CID 123376596
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
9-(3-chlorophenyl)-1,2,8,9-tetrahydrochrysene
CID 174688451
N,N,3-trimethylcyclohexa-2,4-dien-1-amine
CID 118506281
3-methyl-4a,10-dihydroanthracene
CID 58426249
1-methyl-4-[3-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-2H-1,3,5-triazine;toluene
CID 145110803
2-methyl-5-(oxan-4-yl)-3H-indole
CID 159566963
6,7-dihydro-4H-pyrano[3,2-g]quinoline-2-carboxylic acid
CID 57035952
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline?
The IUPAC name of 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline (CID 90774694) is 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline.
What is the SMILES notation for 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline?
The canonical SMILES for 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline is CC1=CC(c2ccc3c(c2)CCC=N3)CC=C1.
What is the InChIKey of 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline?
The InChIKey is DRLZKLCKEIGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2,4,7-11,13H,3,5-6H2,1H3.
What are the key properties of 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline?
6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline has a molecular weight of 223.32 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydroquinoline is sourced from PubChem (CID 90774694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).