4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline

C19H22ClN — CID 162787257

IUPAC4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline
SMILESCN1c2ccccc2C(C)(c2ccc(Cl)cc2)CC1(C)C
InChIInChI=1S/C19H22ClN/c1-18(2)13-19(3,14-9-11-15(20)12-10-14)16-7-5-6-8-17(16)21(18)4/h5-12H,13H2,1-4H3
InChIKeyGCVBFWGTBOWRBT-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.26
Rot. Bonds1

About 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline

4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline (PubChem CID 162787257) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline
PubChem CID162787257
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline
SMILESCN1c2ccccc2C(C)(c2ccc(Cl)cc2)CC1(C)C
InChIInChI=1S/C19H22ClN/c1-18(2)13-19(3,14-9-11-15(20)12-10-14)16-7-5-6-8-17(16)21(18)4/h5-12H,13H2,1-4H3
InChIKeyGCVBFWGTBOWRBT-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline?
The IUPAC name of 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline (CID 162787257) is 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline?
The canonical SMILES for 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline is CN1c2ccccc2C(C)(c2ccc(Cl)cc2)CC1(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline?
The InChIKey is GCVBFWGTBOWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-18(2)13-19(3,14-9-11-15(20)12-10-14)16-7-5-6-8-17(16)21(18)4/h5-12H,13H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline?
4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline has a molecular weight of 299.85 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline is sourced from PubChem (CID 162787257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).