6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide

C21H25BrN2O3 — CID 166232250

IUPAC6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(C)COC1CCOC1
InChIInChI=1S/C21H25BrN2O3/c1-12(10-27-16-7-8-26-11-16)23-21(25)19-13(2)20(14-3-4-14)24-18-6-5-15(22)9-17(18)19/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3,(H,23,25)
InChIKeyXSZXMSBVFXUEMK-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.11
Rot. Bonds6

About 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide

6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide (PubChem CID 166232250) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide
PubChem CID166232250
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(C)COC1CCOC1
InChIInChI=1S/C21H25BrN2O3/c1-12(10-27-16-7-8-26-11-16)23-21(25)19-13(2)20(14-3-4-14)24-18-6-5-15(22)9-17(18)19/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3,(H,23,25)
InChIKeyXSZXMSBVFXUEMK-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide (CID 166232250) is 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC(C)COC1CCOC1.
What is the InChIKey of 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is XSZXMSBVFXUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-12(10-27-16-7-8-26-11-16)23-21(25)19-13(2)20(14-3-4-14)24-18-6-5-15(22)9-17(18)19/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3,(H,23,25).
What are the key properties of 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide?
6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-3-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 166232250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).