2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline

C19H25N — CID 59898299

IUPAC2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline
SMILESC=C(c1c(C)c(C)nc2ccccc12)C(C)C(C)(C)C
InChIInChI=1S/C19H25N/c1-12(14(3)19(5,6)7)18-13(2)15(4)20-17-11-9-8-10-16(17)18/h8-11,14H,1H2,2-7H3
InChIKeyQCNCHKUYQSSAIV-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.55
Rot. Bonds2

About 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline

2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline (PubChem CID 59898299) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline.

Molecular Properties

Compound Name2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline
PubChem CID59898299
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline
SMILESC=C(c1c(C)c(C)nc2ccccc12)C(C)C(C)(C)C
InChIInChI=1S/C19H25N/c1-12(14(3)19(5,6)7)18-13(2)15(4)20-17-11-9-8-10-16(17)18/h8-11,14H,1H2,2-7H3
InChIKeyQCNCHKUYQSSAIV-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine
CID 18681645
bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
CID 158524529
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
CID 58625508
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoline-4-carboxylate
CID 42034173
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
1-[(2,3-dimethylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 75503246
3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline?
The IUPAC name of 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline (CID 59898299) is 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline.
What is the SMILES notation for 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline?
The canonical SMILES for 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline is C=C(c1c(C)c(C)nc2ccccc12)C(C)C(C)(C)C.
What is the InChIKey of 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline?
The InChIKey is QCNCHKUYQSSAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12(14(3)19(5,6)7)18-13(2)15(4)20-17-11-9-8-10-16(17)18/h8-11,14H,1H2,2-7H3.
What are the key properties of 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline?
2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline has a molecular weight of 267.42 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(3,4,4-trimethylpent-1-en-2-yl)quinoline is sourced from PubChem (CID 59898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).