3-tert-butyl-2-methylquinoline

C14H17N — CID 89390827

IUPAC3-tert-butyl-2-methylquinoline
SMILESCc1nc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C14H17N/c1-10-12(14(2,3)4)9-11-7-5-6-8-13(11)15-10/h5-9H,1-4H3
InChIKeySERUYIOCNZQOCB-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.84
Rot. Bonds

About 3-tert-butyl-2-methylquinoline

3-tert-butyl-2-methylquinoline (PubChem CID 89390827) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-tert-butyl-2-methylquinoline.

Molecular Properties

Compound Name3-tert-butyl-2-methylquinoline
PubChem CID89390827
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-tert-butyl-2-methylquinoline
SMILESCc1nc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C14H17N/c1-10-12(14(2,3)4)9-11-7-5-6-8-13(11)15-10/h5-9H,1-4H3
InChIKeySERUYIOCNZQOCB-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-ditert-butylnaphthalene
CID 14173307
2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
CID 163409701
acridine;ethane
CID 123684759
acridine
CID 21226281
2-tert-butylquinoline;methane
CID 164995315
CID 67820527
CID 67820527
(2-methylquinolin-3-yl) hydrogen carbonate
CID 70380848
acridine;dihydrate
CID 172843020
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;methane
CID 21324126
acridine;argon
CID 157415582

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylquinoline?
The IUPAC name of 3-tert-butyl-2-methylquinoline (CID 89390827) is 3-tert-butyl-2-methylquinoline.
What is the SMILES notation for 3-tert-butyl-2-methylquinoline?
The canonical SMILES for 3-tert-butyl-2-methylquinoline is Cc1nc2ccccc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylquinoline?
The InChIKey is SERUYIOCNZQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-12(14(2,3)4)9-11-7-5-6-8-13(11)15-10/h5-9H,1-4H3.
What are the key properties of 3-tert-butyl-2-methylquinoline?
3-tert-butyl-2-methylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylquinoline is sourced from PubChem (CID 89390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).