2,4,4-trimethyl-3H-quinoline

C12H15N — CID 594116

IUPAC2,4,4-trimethyl-3H-quinoline
SMILESCC1=Nc2ccccc2C(C)(C)C1
InChIInChI=1S/C12H15N/c1-9-8-12(2,3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3
InChIKeyMJETWKCGZXNUCV-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.46
Rot. Bonds

About 2,4,4-trimethyl-3H-quinoline

2,4,4-trimethyl-3H-quinoline (PubChem CID 594116) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,4,4-trimethyl-3H-quinoline.

Molecular Properties

Compound Name2,4,4-trimethyl-3H-quinoline
PubChem CID594116
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,4,4-trimethyl-3H-quinoline
SMILESCC1=Nc2ccccc2C(C)(C)C1
InChIInChI=1S/C12H15N/c1-9-8-12(2,3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3
InChIKeyMJETWKCGZXNUCV-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 170530
CID 170530
CID 15427
CID 15427
CID 80574
CID 80574
CID 79454
CID 79454
CID 2759465
CID 2759465
CID 142052
CID 142052
CID 222280
CID 222280
CID 594548
CID 594548
CID 608871
CID 608871
CID 2796213
CID 2796213
CID 117693
CID 117693
CID 91797
CID 91797

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-3H-quinoline?
The IUPAC name of 2,4,4-trimethyl-3H-quinoline (CID 594116) is 2,4,4-trimethyl-3H-quinoline.
What is the SMILES notation for 2,4,4-trimethyl-3H-quinoline?
The canonical SMILES for 2,4,4-trimethyl-3H-quinoline is CC1=Nc2ccccc2C(C)(C)C1.
What is the InChIKey of 2,4,4-trimethyl-3H-quinoline?
The InChIKey is MJETWKCGZXNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-8-12(2,3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-3H-quinoline?
2,4,4-trimethyl-3H-quinoline has a molecular weight of 173.26 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3H-quinoline is sourced from PubChem (CID 594116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).