7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

C25H21F2NO — CID 11741048

IUPAC7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C25H21F2NO/c1-14-13-25(2,3)28-20-10-9-17-18-11-16(26)12-19(27)24(18)29-23(22(17)21(14)20)15-7-5-4-6-8-15/h4-13,23,28H,1-3H3
InChIKeyONPDHKUXFPFOTO-UHFFFAOYSA-N
MW389.45 g/mol
LogP6.72
Rot. Bonds1

About 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 11741048) has the molecular formula C25H21F2NO and a molecular weight of 389.45 g/mol. Its IUPAC name is 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID11741048
Molecular FormulaC25H21F2NO
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C25H21F2NO/c1-14-13-25(2,3)28-20-10-9-17-18-11-16(26)12-19(27)24(18)29-23(22(17)21(14)20)15-7-5-4-6-8-15/h4-13,23,28H,1-3H3
InChIKeyONPDHKUXFPFOTO-UHFFFAOYSA-N
XLogP6.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10433652
7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10338016
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
(5S)-5-[(1S)-2,3-dimethylcyclohex-2-en-1-yl]-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 44560815
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
ethyl 2-[(7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
CID 91283504
(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 11795355
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 11741048) is 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1c(F)cc(F)cc1-3.
What is the InChIKey of 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is ONPDHKUXFPFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO/c1-14-13-25(2,3)28-20-10-9-17-18-11-16(26)12-19(27)24(18)29-23(22(17)21(14)20)15-7-5-4-6-8-15/h4-13,23,28H,1-3H3.
What are the key properties of 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 389.45 g/mol, XLogP of 6.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 11741048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).