5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C27H21F2NOS — CID 10433652

IUPAC5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc2ccccc2s1)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C27H21F2NOS/c1-14-13-27(2,3)30-20-9-8-17-18-11-16(28)12-19(29)25(18)31-26(24(17)23(14)20)22-10-15-6-4-5-7-21(15)32-22/h4-13,26,30H,1-3H3
InChIKeyDDPFZLCZKKGZPY-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.94
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10433652) has the molecular formula C27H21F2NOS and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10433652
Molecular FormulaC27H21F2NOS
Molecular Weight445.53 g/mol
Exact Mass445.13
IUPAC Name5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc2ccccc2s1)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C27H21F2NOS/c1-14-13-27(2,3)30-20-9-8-17-18-11-16(28)12-19(29)25(18)31-26(24(17)23(14)20)22-10-15-6-4-5-7-21(15)32-22/h4-13,26,30H,1-3H3
InChIKeyDDPFZLCZKKGZPY-UHFFFAOYSA-N
XLogP7.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline with MolForge

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Related Compounds

7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048
7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10338016
(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
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-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493
8-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-ol
CID 54332276
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
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10433652) is 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cc2ccccc2s1)Oc1c(F)cc(F)cc1-3.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is DDPFZLCZKKGZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NOS/c1-14-13-27(2,3)30-20-9-8-17-18-11-16(28)12-19(29)25(18)31-26(24(17)23(14)20)22-10-15-6-4-5-7-21(15)32-22/h4-13,26,30H,1-3H3.
What are the key properties of 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 445.53 g/mol, XLogP of 7.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10433652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).