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

C19H23NO — CID 2839644

IUPAC4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCOc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-18(2)13-19(3,14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)20-18/h5-12,20H,13H2,1-4H3
InChIKeyIIPMLJBBBLAPFA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.60
Rot. Bonds2

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

4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (PubChem CID 2839644) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
PubChem CID2839644
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCOc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-18(2)13-19(3,14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)20-18/h5-12,20H,13H2,1-4H3
InChIKeyIIPMLJBBBLAPFA-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (CID 2839644) is 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is COc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The InChIKey is IIPMLJBBBLAPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-18(2)13-19(3,14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)20-18/h5-12,20H,13H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline has a molecular weight of 281.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is sourced from PubChem (CID 2839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).