5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C25H21Cl2NO — CID 10717098

IUPAC5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3
InChIInChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-19-18-6-4-5-7-21(18)29-24(23(19)22(14)20)15-10-16(26)12-17(27)11-15/h4-13,24,28H,1-3H3
InChIKeyDTIMQMAYRMJPRM-UHFFFAOYSA-N
MW422.36 g/mol
LogP7.75
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10717098) has the molecular formula C25H21Cl2NO and a molecular weight of 422.36 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10717098
Molecular FormulaC25H21Cl2NO
Molecular Weight422.36 g/mol
Exact Mass421.10
IUPAC Name5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3
InChIInChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-19-18-6-4-5-7-21(18)29-24(23(19)22(14)20)15-10-16(26)12-17(27)11-15/h4-13,24,28H,1-3H3
InChIKeyDTIMQMAYRMJPRM-UHFFFAOYSA-N
XLogP7.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10717098) is 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc(Cl)cc(Cl)c1)Oc1ccccc1-3.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is DTIMQMAYRMJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2NO/c1-14-13-25(2,3)28-20-9-8-19-18-6-4-5-7-21(18)29-24(23(19)22(14)20)15-10-16(26)12-17(27)11-15/h4-13,24,28H,1-3H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 422.36 g/mol, XLogP of 7.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10717098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).