methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate

C17H13BrN2O4 — CID 17016225

IUPACmethyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1
InChIInChI=1S/C17H13BrN2O4/c1-9-7-13(20-16(21)14-5-6-15(18)24-14)11-8-10(17(22)23-2)3-4-12(11)19-9/h3-8H,1-2H3,(H,19,20,21)
InChIKeyKCTBURZNPVZGAN-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.94
Rot. Bonds3

About methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate

methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate (PubChem CID 17016225) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
PubChem CID17016225
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Namemethyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1
InChIInChI=1S/C17H13BrN2O4/c1-9-7-13(20-16(21)14-5-6-15(18)24-14)11-8-10(17(22)23-2)3-4-12(11)19-9/h3-8H,1-2H3,(H,19,20,21)
InChIKeyKCTBURZNPVZGAN-UHFFFAOYSA-N
XLogP3.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-(2-methoxy-5-methyl-3-pyridinyl)furan-2-carboxamide
CID 71983273
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
CID 17016338
methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 171985742
5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 71865902

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate (CID 17016225) is methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1.
What is the InChIKey of methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The InChIKey is KCTBURZNPVZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c1-9-7-13(20-16(21)14-5-6-15(18)24-14)11-8-10(17(22)23-2)3-4-12(11)19-9/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate?
methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate has a molecular weight of 389.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 17016225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).