12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline

C28H19FN2O — CID 126483445

IUPAC12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3c(-c4ccc(F)cc4)c4ccccn4c23)cc1
InChIInChI=1S/C28H19FN2O/c1-32-21-15-11-19(12-16-21)27-28-26(22-6-2-3-7-23(22)30-27)25(18-9-13-20(29)14-10-18)24-8-4-5-17-31(24)28/h2-17H,1H3
InChIKeyUBHSUQJFGFYIRQ-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.12
Rot. Bonds3

About 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline

12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline (PubChem CID 126483445) has the molecular formula C28H19FN2O and a molecular weight of 418.47 g/mol. Its IUPAC name is 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline.

Molecular Properties

Compound Name12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline
PubChem CID126483445
Molecular FormulaC28H19FN2O
Molecular Weight418.47 g/mol
Exact Mass418.15
IUPAC Name12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline
SMILESCOc1ccc(-c2nc3ccccc3c3c(-c4ccc(F)cc4)c4ccccn4c23)cc1
InChIInChI=1S/C28H19FN2O/c1-32-21-15-11-19(12-16-21)27-28-26(22-6-2-3-7-23(22)30-27)25(18-9-13-20(29)14-10-18)24-8-4-5-17-31(24)28/h2-17H,1H3
InChIKeyUBHSUQJFGFYIRQ-UHFFFAOYSA-N
XLogP7.12
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Harmine
CID 5280953
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
CID 139520309
N-butylharmine
CID 486624
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indole
CID 52945666
7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
CID 160853
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
N-Ethylharmine
CID 486623
2-(3-(5-fluoro-1H-indol-3-yl)-propyl)-6-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9880984

Frequently Asked Questions

What is the IUPAC name of 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline?
The IUPAC name of 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline (CID 126483445) is 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline.
What is the SMILES notation for 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline?
The canonical SMILES for 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline is COc1ccc(-c2nc3ccccc3c3c(-c4ccc(F)cc4)c4ccccn4c23)cc1.
What is the InChIKey of 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline?
The InChIKey is UBHSUQJFGFYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O/c1-32-21-15-11-19(12-16-21)27-28-26(22-6-2-3-7-23(22)30-27)25(18-9-13-20(29)14-10-18)24-8-4-5-17-31(24)28/h2-17H,1H3.
What are the key properties of 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline?
12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline has a molecular weight of 418.47 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-fluorophenyl)-6-(4-methoxyphenyl)indolizino[3,2-c]quinoline is sourced from PubChem (CID 126483445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).