[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone

C20H15BrFNO — CID 11617905

IUPAC[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(=O)C1CC1
InChIInChI=1S/C20H15BrFNO/c1-11-18(20(24)13-2-3-13)19(12-4-7-15(22)8-5-12)16-10-14(21)6-9-17(16)23-11/h4-10,13H,2-3H2,1H3
InChIKeyRSFDOMSFGJZIDT-UHFFFAOYSA-N
MW384.25 g/mol
LogP5.70
Rot. Bonds3

About [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone

[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone (PubChem CID 11617905) has the molecular formula C20H15BrFNO and a molecular weight of 384.25 g/mol. Its IUPAC name is [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone
PubChem CID11617905
Molecular FormulaC20H15BrFNO
Molecular Weight384.25 g/mol
Exact Mass383.03
IUPAC Name[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone
SMILESCc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(=O)C1CC1
InChIInChI=1S/C20H15BrFNO/c1-11-18(20(24)13-2-3-13)19(12-4-7-15(22)8-5-12)16-10-14(21)6-9-17(16)23-11/h4-10,13H,2-3H2,1H3
InChIKeyRSFDOMSFGJZIDT-UHFFFAOYSA-N
XLogP5.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.25
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone?
The IUPAC name of [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone (CID 11617905) is [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone?
The canonical SMILES for [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone is Cc1nc2ccc(Br)cc2c(-c2ccc(F)cc2)c1C(=O)C1CC1.
What is the InChIKey of [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone?
The InChIKey is RSFDOMSFGJZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO/c1-11-18(20(24)13-2-3-13)19(12-4-7-15(22)8-5-12)16-10-14(21)6-9-17(16)23-11/h4-10,13H,2-3H2,1H3.
What are the key properties of [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone?
[6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone has a molecular weight of 384.25 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(4-fluorophenyl)-2-methylquinolin-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 11617905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).