2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

C25H23NO — CID 10316069

IUPAC2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3
InChIInChI=1S/C25H23NO/c1-16-15-25(2,3)26-20-14-13-19-18-11-7-8-12-21(18)27-24(23(19)22(16)20)17-9-5-4-6-10-17/h4-15,24,26H,1-3H3
InChIKeyKGVGNTCIQIYLQU-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.44
Rot. Bonds1

About 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10316069) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10316069
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3
InChIInChI=1S/C25H23NO/c1-16-15-25(2,3)26-20-14-13-19-18-11-7-8-12-21(18)27-24(23(19)22(16)20)17-9-5-4-6-10-17/h4-15,24,26H,1-3H3
InChIKeyKGVGNTCIQIYLQU-UHFFFAOYSA-N
XLogP6.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10316069) is 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3.
What is the InChIKey of 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is KGVGNTCIQIYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-16-15-25(2,3)26-20-14-13-19-18-11-7-8-12-21(18)27-24(23(19)22(16)20)17-9-5-4-6-10-17/h4-15,24,26H,1-3H3.
What are the key properties of 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 353.47 g/mol, XLogP of 6.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10316069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).