(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone

C26H26FNO — CID 3120678

IUPAC(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FNO/c1-18-10-15-23-22(16-18)26(4,20-8-6-5-7-9-20)17-25(2,3)28(23)24(29)19-11-13-21(27)14-12-19/h5-16H,17H2,1-4H3
InChIKeyPAWWLNRKQJTTAP-UHFFFAOYSA-N
MW387.50 g/mol
LogP6.27
Rot. Bonds2

About (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone

(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone (PubChem CID 3120678) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
PubChem CID3120678
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FNO/c1-18-10-15-23-22(16-18)26(4,20-8-6-5-7-9-20)17-25(2,3)28(23)24(29)19-11-13-21(27)14-12-19/h5-16H,17H2,1-4H3
InChIKeyPAWWLNRKQJTTAP-UHFFFAOYSA-N
XLogP6.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone (CID 3120678) is (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone is Cc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The InChIKey is PAWWLNRKQJTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO/c1-18-10-15-23-22(16-18)26(4,20-8-6-5-7-9-20)17-25(2,3)28(23)24(29)19-11-13-21(27)14-12-19/h5-16H,17H2,1-4H3.
What are the key properties of (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone?
(4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone has a molecular weight of 387.50 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone is sourced from PubChem (CID 3120678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).