4-methyl-3,8-di(propan-2-yl)quinoline

C16H21N — CID 129268272

IUPAC4-methyl-3,8-di(propan-2-yl)quinoline
SMILESCc1c(C(C)C)cnc2c(C(C)C)cccc12
InChIInChI=1S/C16H21N/c1-10(2)13-7-6-8-14-12(5)15(11(3)4)9-17-16(13)14/h6-11H,1-5H3
InChIKeyFYSQZUMKIPOSDO-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.79
Rot. Bonds2

About 4-methyl-3,8-di(propan-2-yl)quinoline

4-methyl-3,8-di(propan-2-yl)quinoline (PubChem CID 129268272) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-3,8-di(propan-2-yl)quinoline.

Molecular Properties

Compound Name4-methyl-3,8-di(propan-2-yl)quinoline
PubChem CID129268272
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-methyl-3,8-di(propan-2-yl)quinoline
SMILESCc1c(C(C)C)cnc2c(C(C)C)cccc12
InChIInChI=1S/C16H21N/c1-10(2)13-7-6-8-14-12(5)15(11(3)4)9-17-16(13)14/h6-11H,1-5H3
InChIKeyFYSQZUMKIPOSDO-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-8-propan-2-ylquinoline-3-carboxylic acid
CID 97033458
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
4,8-di(propan-2-yl)isoquinoline
CID 59590591
3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 55231081
2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
CID 174643820
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
CID 161240222
1-(4-methylquinolin-8-yl)ethanol
CID 82575957
CID 158967293
CID 158967293
5-ethyl-8-propan-2-yl-1,6-naphthyridine
CID 163259705
N-methyl-1-(8-propan-2-ylquinolin-3-yl)methanamine
CID 82241794
3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
CID 174865670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,8-di(propan-2-yl)quinoline?
The IUPAC name of 4-methyl-3,8-di(propan-2-yl)quinoline (CID 129268272) is 4-methyl-3,8-di(propan-2-yl)quinoline.
What is the SMILES notation for 4-methyl-3,8-di(propan-2-yl)quinoline?
The canonical SMILES for 4-methyl-3,8-di(propan-2-yl)quinoline is Cc1c(C(C)C)cnc2c(C(C)C)cccc12.
What is the InChIKey of 4-methyl-3,8-di(propan-2-yl)quinoline?
The InChIKey is FYSQZUMKIPOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-10(2)13-7-6-8-14-12(5)15(11(3)4)9-17-16(13)14/h6-11H,1-5H3.
What are the key properties of 4-methyl-3,8-di(propan-2-yl)quinoline?
4-methyl-3,8-di(propan-2-yl)quinoline has a molecular weight of 227.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,8-di(propan-2-yl)quinoline is sourced from PubChem (CID 129268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).