6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide

C20H23BrN2O2 — CID 166195468

IUPAC6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C20H23BrN2O2/c1-11-9-15(7-8-25-11)22-20(24)18-12(2)19(13-3-4-13)23-17-6-5-14(21)10-16(17)18/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,22,24)
InChIKeyADZULYFVZRETIP-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.48
Rot. Bonds3

About 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide

6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide (PubChem CID 166195468) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide
PubChem CID166195468
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C20H23BrN2O2/c1-11-9-15(7-8-25-11)22-20(24)18-12(2)19(13-3-4-13)23-17-6-5-14(21)10-16(17)18/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,22,24)
InChIKeyADZULYFVZRETIP-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide (CID 166195468) is 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC1CCOC(C)C1.
What is the InChIKey of 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide?
The InChIKey is ADZULYFVZRETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-11-9-15(7-8-25-11)22-20(24)18-12(2)19(13-3-4-13)23-17-6-5-14(21)10-16(17)18/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,22,24).
What are the key properties of 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide?
6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-3-methyl-N-(2-methyloxan-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 166195468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).