4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline

C16H19N — CID 167153636

IUPAC4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1cc(CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H19N/c1-4-7-14-11-13(10-12(2)3)15-8-5-6-9-16(15)17-14/h4-9,11-12H,10H2,1-3H3/b7-4+
InChIKeyOGLPNJHKRZTOEI-QPJJXVBHSA-N
MW225.34 g/mol
LogP4.47
Rot. Bonds3

About 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline

4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline (PubChem CID 167153636) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline
PubChem CID167153636
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1cc(CC(C)C)c2ccccc2n1
InChIInChI=1S/C16H19N/c1-4-7-14-11-13(10-12(2)3)15-8-5-6-9-16(15)17-14/h4-9,11-12H,10H2,1-3H3/b7-4+
InChIKeyOGLPNJHKRZTOEI-QPJJXVBHSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-[(E)-prop-1-enyl]quinolin-4-amine
CID 58336252
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
2-methyl-4-prop-1-enylquinoline
CID 73094462
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
CID 71256499
4-(2-chloro-3,3-dimethylbutyl)-2-methylquinoline
CID 63530701
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
4-(2-methylpropyl)-2-(10-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-9-yl)quinoline
CID 166852931
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline?
The IUPAC name of 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline (CID 167153636) is 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline.
What is the SMILES notation for 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline?
The canonical SMILES for 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline is C/C=C/c1cc(CC(C)C)c2ccccc2n1.
What is the InChIKey of 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline?
The InChIKey is OGLPNJHKRZTOEI-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H19N/c1-4-7-14-11-13(10-12(2)3)15-8-5-6-9-16(15)17-14/h4-9,11-12H,10H2,1-3H3/b7-4+.
What are the key properties of 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline?
4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline has a molecular weight of 225.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline is sourced from PubChem (CID 167153636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).