7-(2-phenylpropyl)-2-propan-2-ylquinoline

C21H23N — CID 166755429

IUPAC7-(2-phenylpropyl)-2-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(CC(C)c3ccccc3)cc2n1
InChIInChI=1S/C21H23N/c1-15(2)20-12-11-19-10-9-17(14-21(19)22-20)13-16(3)18-7-5-4-6-8-18/h4-12,14-16H,13H2,1-3H3
InChIKeyAHUNUEMMGYICKE-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.70
Rot. Bonds4

About 7-(2-phenylpropyl)-2-propan-2-ylquinoline

7-(2-phenylpropyl)-2-propan-2-ylquinoline (PubChem CID 166755429) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-(2-phenylpropyl)-2-propan-2-ylquinoline.

Molecular Properties

Compound Name7-(2-phenylpropyl)-2-propan-2-ylquinoline
PubChem CID166755429
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name7-(2-phenylpropyl)-2-propan-2-ylquinoline
SMILESCC(C)c1ccc2ccc(CC(C)c3ccccc3)cc2n1
InChIInChI=1S/C21H23N/c1-15(2)20-12-11-19-10-9-17(14-21(19)22-20)13-16(3)18-7-5-4-6-8-18/h4-12,14-16H,13H2,1-3H3
InChIKeyAHUNUEMMGYICKE-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(2-phenylpropyl)benzene
CID 19376086
2-propan-2-yl-7-[2-(1,2,3,4-tetrahydroquinolin-6-yl)propyl]quinoline
CID 138657133
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
7-methyl-2-propan-2-ylquinoline
CID 83527005
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1,2-ditert-butyl-4-(2-phenylpropyl)benzene
CID 101326630
2,4-bis(2-phenylpropyl)phenol
CID 118278794

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylpropyl)-2-propan-2-ylquinoline?
The IUPAC name of 7-(2-phenylpropyl)-2-propan-2-ylquinoline (CID 166755429) is 7-(2-phenylpropyl)-2-propan-2-ylquinoline.
What is the SMILES notation for 7-(2-phenylpropyl)-2-propan-2-ylquinoline?
The canonical SMILES for 7-(2-phenylpropyl)-2-propan-2-ylquinoline is CC(C)c1ccc2ccc(CC(C)c3ccccc3)cc2n1.
What is the InChIKey of 7-(2-phenylpropyl)-2-propan-2-ylquinoline?
The InChIKey is AHUNUEMMGYICKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-15(2)20-12-11-19-10-9-17(14-21(19)22-20)13-16(3)18-7-5-4-6-8-18/h4-12,14-16H,13H2,1-3H3.
What are the key properties of 7-(2-phenylpropyl)-2-propan-2-ylquinoline?
7-(2-phenylpropyl)-2-propan-2-ylquinoline has a molecular weight of 289.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylpropyl)-2-propan-2-ylquinoline is sourced from PubChem (CID 166755429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).