3-butyl-4-methylquinoline

C14H17N — CID 153439338

IUPAC3-butyl-4-methylquinoline
SMILESCCCCc1cnc2ccccc2c1C
InChIInChI=1S/C14H17N/c1-3-4-7-12-10-15-14-9-6-5-8-13(14)11(12)2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyGARKSCWOSQZLTO-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.89
Rot. Bonds3

About 3-butyl-4-methylquinoline

3-butyl-4-methylquinoline (PubChem CID 153439338) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-butyl-4-methylquinoline.

Molecular Properties

Compound Name3-butyl-4-methylquinoline
PubChem CID153439338
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-butyl-4-methylquinoline
SMILESCCCCc1cnc2ccccc2c1C
InChIInChI=1S/C14H17N/c1-3-4-7-12-10-15-14-9-6-5-8-13(14)11(12)2/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyGARKSCWOSQZLTO-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-3-methylquinoline
CID 153439340
3-butyl-4-[(4-phenylphenyl)methoxy]quinoline
CID 142641019
3-bromo-4-hexylquinoline
CID 134275854
9-butylacridine
CID 606127
9,10-dibutylanthracene
CID 605822
9-butyl-10-methylanthracene
CID 22754688
4-hexyl-2-methylquinoline
CID 12861362
2-decyl-1-methylnaphthalene
CID 154261310
methyl 2-[4-(3-butylquinolin-4-yl)-2-methylphenyl]benzoate
CID 67658453
4-pentyl-3-pentylsulfonylquinoline
CID 68571219
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
CID 159940559
CID 159940559

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methylquinoline?
The IUPAC name of 3-butyl-4-methylquinoline (CID 153439338) is 3-butyl-4-methylquinoline.
What is the SMILES notation for 3-butyl-4-methylquinoline?
The canonical SMILES for 3-butyl-4-methylquinoline is CCCCc1cnc2ccccc2c1C.
What is the InChIKey of 3-butyl-4-methylquinoline?
The InChIKey is GARKSCWOSQZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-7-12-10-15-14-9-6-5-8-13(14)11(12)2/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 3-butyl-4-methylquinoline?
3-butyl-4-methylquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methylquinoline is sourced from PubChem (CID 153439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).