(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C29H30ClN3O — CID 144610440

IUPAC(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESC=CCCC(=C)Cc1c(C)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1C
InChIInChI=1S/C29H30ClN3O/c1-6-7-8-19(2)15-25-20(3)26-16-23(11-14-27(26)32-21(25)4)29(34,28-17-31-18-33(28)5)22-9-12-24(30)13-10-22/h6,9-14,16-18,34H,1-2,7-8,15H2,3-5H3
InChIKeyQLQGJDGHLAWXHL-UHFFFAOYSA-N
MW472.03 g/mol
LogP6.59
Rot. Bonds8

About (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 144610440) has the molecular formula C29H30ClN3O and a molecular weight of 472.03 g/mol. Its IUPAC name is (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID144610440
Molecular FormulaC29H30ClN3O
Molecular Weight472.03 g/mol
Exact Mass471.21
IUPAC Name(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESC=CCCC(=C)Cc1c(C)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1C
InChIInChI=1S/C29H30ClN3O/c1-6-7-8-19(2)15-25-20(3)26-16-23(11-14-27(26)32-21(25)4)29(34,28-17-31-18-33(28)5)22-9-12-24(30)13-10-22/h6,9-14,16-18,34H,1-2,7-8,15H2,3-5H3
InChIKeyQLQGJDGHLAWXHL-UHFFFAOYSA-N
XLogP6.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 144610440) is (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is C=CCCC(=C)Cc1c(C)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1C.
What is the InChIKey of (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is QLQGJDGHLAWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O/c1-6-7-8-19(2)15-25-20(3)26-16-23(11-14-27(26)32-21(25)4)29(34,28-17-31-18-33(28)5)22-9-12-24(30)13-10-22/h6,9-14,16-18,34H,1-2,7-8,15H2,3-5H3.
What are the key properties of (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 472.03 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 144610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).