5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C21H20N2O4 — CID 120522952

IUPAC5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)cc1C(=O)O
InChIInChI=1S/C21H20N2O4/c1-12-16(21(25)26)9-14(27-12)11-23(2)20(24)17-10-19(13-7-8-13)22-18-6-4-3-5-15(17)18/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,25,26)
InChIKeyDUMJHUCHCOQAPV-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.98
Rot. Bonds5

About 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120522952) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120522952
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)cc1C(=O)O
InChIInChI=1S/C21H20N2O4/c1-12-16(21(25)26)9-14(27-12)11-23(2)20(24)17-10-19(13-7-8-13)22-18-6-4-3-5-15(17)18/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,25,26)
InChIKeyDUMJHUCHCOQAPV-UHFFFAOYSA-N
XLogP3.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
2-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 31361151
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222313
5-[[(2-cyclopropyl-1,3-thiazole-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 99585209
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
2-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 9378561

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 120522952) is 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cc(C3CC3)nc3ccccc23)cc1C(=O)O.
What is the InChIKey of 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is DUMJHUCHCOQAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-12-16(21(25)26)9-14(27-12)11-23(2)20(24)17-10-19(13-7-8-13)22-18-6-4-3-5-15(17)18/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,25,26).
What are the key properties of 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120522952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).