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

C25H22FNO — CID 10499475

IUPAC5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccccc1-3
InChIInChI=1S/C25H22FNO/c1-15-14-25(2,3)27-20-12-11-19-18-9-4-5-10-21(18)28-24(23(19)22(15)20)16-7-6-8-17(26)13-16/h4-14,24,27H,1-3H3
InChIKeyNVMMRAHFZTXRQY-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.58
Rot. Bonds1

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

5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10499475) has the molecular formula C25H22FNO and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10499475
Molecular FormulaC25H22FNO
Molecular Weight371.46 g/mol
Exact Mass371.17
IUPAC Name5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccccc1-3
InChIInChI=1S/C25H22FNO/c1-15-14-25(2,3)27-20-12-11-19-18-9-4-5-10-21(18)28-24(23(19)22(15)20)16-7-6-8-17(26)13-16/h4-14,24,27H,1-3H3
InChIKeyNVMMRAHFZTXRQY-UHFFFAOYSA-N
XLogP6.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 9951771
10-methoxy-5-(2-propenyl)-2,5-dihydro-2,2,4-trimethyl-1H-(1)benzopyrano(3,4-f)quinoline
CID 9906282
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10070722
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[3-phenyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10071910
4-{1-[2-(3-Chlorophenyl)ethoxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10072320
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-{[(2E)-3-phenylprop-2-en-1-yl]oxy}ethyl)-1,2-dihydroquinoline
CID 10342379
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10499475) is 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(F)c1)Oc1ccccc1-3.
What is the InChIKey of 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is NVMMRAHFZTXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO/c1-15-14-25(2,3)27-20-12-11-19-18-9-4-5-10-21(18)28-24(23(19)22(15)20)16-7-6-8-17(26)13-16/h4-14,24,27H,1-3H3.
What are the key properties of 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 371.46 g/mol, XLogP of 6.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10499475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).