6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C22H17BrN2O2 — CID 3431017

IUPAC6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H17BrN2O2/c1-14-4-2-5-15(10-14)21-12-19(18-11-16(23)7-8-20(18)25-21)22(26)24-13-17-6-3-9-27-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeySQCBCAMZXKATGQ-UHFFFAOYSA-N
MW421.29 g/mol
LogP5.50
Rot. Bonds4

About 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide

6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 3431017) has the molecular formula C22H17BrN2O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID3431017
Molecular FormulaC22H17BrN2O2
Molecular Weight421.29 g/mol
Exact Mass420.05
IUPAC Name6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C22H17BrN2O2/c1-14-4-2-5-15(10-14)21-12-19(18-11-16(23)7-8-20(18)25-21)22(26)24-13-17-6-3-9-27-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeySQCBCAMZXKATGQ-UHFFFAOYSA-N
XLogP5.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.29
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
CID 42749987
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 3431017) is 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is SQCBCAMZXKATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O2/c1-14-4-2-5-15(10-14)21-12-19(18-11-16(23)7-8-20(18)25-21)22(26)24-13-17-6-3-9-27-17/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 421.29 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(furan-2-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3431017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).