2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline

C26H27N — CID 155369899

IUPAC2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline
SMILESC=C(Cc1ccc2c(c1)C(C)=CC(C)(C)N2)Cc1cccc2ccccc12
InChIInChI=1S/C26H27N/c1-18(15-22-10-7-9-21-8-5-6-11-23(21)22)14-20-12-13-25-24(16-20)19(2)17-26(3,4)27-25/h5-13,16-17,27H,1,14-15H2,2-4H3
InChIKeyHUUHBECIMMFPFP-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.79
Rot. Bonds4

About 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline

2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline (PubChem CID 155369899) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline
PubChem CID155369899
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline
SMILESC=C(Cc1ccc2c(c1)C(C)=CC(C)(C)N2)Cc1cccc2ccccc12
InChIInChI=1S/C26H27N/c1-18(15-22-10-7-9-21-8-5-6-11-23(21)22)14-20-12-13-25-24(16-20)19(2)17-26(3,4)27-25/h5-13,16-17,27H,1,14-15H2,2-4H3
InChIKeyHUUHBECIMMFPFP-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline
CID 23433463
2,2,4-trimethyl-6-(1,1,2,2,2-pentadeuterioethoxy)-1H-quinoline;hydrochloride
CID 167531367
1-[(4S)-2,2,4-trimethyl-4-(2,2,4-trimethyl-1H-quinolin-6-yl)-3H-quinolin-1-yl]butan-1-one
CID 7331505
5-(2,2,4-trimethyl-1H-quinolin-6-yl)-1,3-oxazole
CID 23433682
hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
CID 162050145
naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7452688
(2,2,4-trimethyl-1H-quinolin-6-yl) 4-chlorobenzoate
CID 698306
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024
sodium;1-ethylnaphthalene;hydride
CID 174300793

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline (CID 155369899) is 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline is C=C(Cc1ccc2c(c1)C(C)=CC(C)(C)N2)Cc1cccc2ccccc12.
What is the InChIKey of 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline?
The InChIKey is HUUHBECIMMFPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-18(15-22-10-7-9-21-8-5-6-11-23(21)22)14-20-12-13-25-24(16-20)19(2)17-26(3,4)27-25/h5-13,16-17,27H,1,14-15H2,2-4H3.
What are the key properties of 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline?
2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline has a molecular weight of 353.51 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-[2-(naphthalen-1-ylmethyl)prop-2-enyl]-1H-quinoline is sourced from PubChem (CID 155369899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).