4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline

C18H20ClN — CID 3738569

IUPAC4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCC1(C)CC(C)(c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C18H20ClN/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,20H,12H2,1-3H3
InChIKeyCPOHOSOUXUSHFX-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.24
Rot. Bonds1

About 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline

4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (PubChem CID 3738569) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
PubChem CID3738569
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCC1(C)CC(C)(c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C18H20ClN/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,20H,12H2,1-3H3
InChIKeyCPOHOSOUXUSHFX-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The IUPAC name of 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (CID 3738569) is 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is CC1(C)CC(C)(c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The InChIKey is CPOHOSOUXUSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,20H,12H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline has a molecular weight of 285.82 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is sourced from PubChem (CID 3738569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).