3-ethyl-4-propan-2-ylquinoline

C14H17N — CID 134512006

IUPAC3-ethyl-4-propan-2-ylquinoline
SMILESCCc1cnc2ccccc2c1C(C)C
InChIInChI=1S/C14H17N/c1-4-11-9-15-13-8-6-5-7-12(13)14(11)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZRXFGBIQLYXSSE-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.92
Rot. Bonds2

About 3-ethyl-4-propan-2-ylquinoline

3-ethyl-4-propan-2-ylquinoline (PubChem CID 134512006) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-ylquinoline.

Molecular Properties

Compound Name3-ethyl-4-propan-2-ylquinoline
PubChem CID134512006
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-ethyl-4-propan-2-ylquinoline
SMILESCCc1cnc2ccccc2c1C(C)C
InChIInChI=1S/C14H17N/c1-4-11-9-15-13-8-6-5-7-12(13)14(11)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZRXFGBIQLYXSSE-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
4-dimethylphosphoryl-3-propan-2-ylquinoline
CID 171586505
4-bromo-3-propan-2-ylquinoline
CID 155647294
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
9-(1-acridin-9-ylethyl)acridine
CID 118649577
4-ethylcinnoline
CID 54530021
3-butyl-4-methylquinoline
CID 153439338
4-[1-(dimethylamino)ethyl]quinolin-3-ol
CID 14117632
9-ethyl-10-propan-2-ylanthracene
CID 145486234
ethane;5-ethylquinoline
CID 143401043
4-(1-methoxyethyl)quinoline-3-carboxylic acid
CID 135324304
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-ylquinoline?
The IUPAC name of 3-ethyl-4-propan-2-ylquinoline (CID 134512006) is 3-ethyl-4-propan-2-ylquinoline.
What is the SMILES notation for 3-ethyl-4-propan-2-ylquinoline?
The canonical SMILES for 3-ethyl-4-propan-2-ylquinoline is CCc1cnc2ccccc2c1C(C)C.
What is the InChIKey of 3-ethyl-4-propan-2-ylquinoline?
The InChIKey is ZRXFGBIQLYXSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-11-9-15-13-8-6-5-7-12(13)14(11)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-ylquinoline?
3-ethyl-4-propan-2-ylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-ylquinoline is sourced from PubChem (CID 134512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).