2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline

C22H21N — CID 102128742

IUPAC2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline
SMILESC=CCc1c(-c2cccc(C)c2)nc2ccccc2c1CC=C
InChIInChI=1S/C22H21N/c1-4-9-18-19-13-6-7-14-21(19)23-22(20(18)10-5-2)17-12-8-11-16(3)15-17/h4-8,11-15H,1-2,9-10H2,3H3
InChIKeyRZVNNXVTIYWBIU-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.67
Rot. Bonds5

About 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline

2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline (PubChem CID 102128742) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline.

Molecular Properties

Compound Name2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline
PubChem CID102128742
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline
SMILESC=CCc1c(-c2cccc(C)c2)nc2ccccc2c1CC=C
InChIInChI=1S/C22H21N/c1-4-9-18-19-13-6-7-14-21(19)23-22(20(18)10-5-2)17-12-8-11-16(3)15-17/h4-8,11-15H,1-2,9-10H2,3H3
InChIKeyRZVNNXVTIYWBIU-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenyl-3-prop-2-enylquinolin-4-yl)acetic acid
CID 141349629
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethene;1-methyl-3-phenylbenzene
CID 142622149
(Z)-but-2-ene;1-methyl-3-(4-phenylphenyl)benzene;prop-1-ene
CID 145212075
14-(3-methylphenyl)-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231120
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
4-(3-methylphenyl)quinoline
CID 146587179

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline?
The IUPAC name of 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline (CID 102128742) is 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline.
What is the SMILES notation for 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline?
The canonical SMILES for 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline is C=CCc1c(-c2cccc(C)c2)nc2ccccc2c1CC=C.
What is the InChIKey of 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline?
The InChIKey is RZVNNXVTIYWBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-4-9-18-19-13-6-7-14-21(19)23-22(20(18)10-5-2)17-12-8-11-16(3)15-17/h4-8,11-15H,1-2,9-10H2,3H3.
What are the key properties of 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline?
2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline has a molecular weight of 299.42 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline is sourced from PubChem (CID 102128742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).