4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide

C28H25FN4O4 — CID 153329906

IUPAC4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide
SMILESCc1cc2c(Oc3ccc(N)cc3)ccnc2cc1C(N)=O.O=CC1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H15N3O2.C11H10FNO2/c1-10-8-14-15(9-13(10)17(19)21)20-7-6-16(14)22-12-4-2-11(18)3-5-12;12-8-1-3-9(4-2-8)13-10(15)11(7-14)5-6-11/h2-9H,18H2,1H3,(H2,19,21);1-4,7H,5-6H2,(H,13,15)
InChIKeyXOCOEMYCYURWGF-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.76
Rot. Bonds6

About 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide

4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide (PubChem CID 153329906) has the molecular formula C28H25FN4O4 and a molecular weight of 500.53 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide
PubChem CID153329906
Molecular FormulaC28H25FN4O4
Molecular Weight500.53 g/mol
Exact Mass500.19
IUPAC Name4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide
SMILESCc1cc2c(Oc3ccc(N)cc3)ccnc2cc1C(N)=O.O=CC1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H15N3O2.C11H10FNO2/c1-10-8-14-15(9-13(10)17(19)21)20-7-6-16(14)22-12-4-2-11(18)3-5-12;12-8-1-3-9(4-2-8)13-10(15)11(7-14)5-6-11/h2-9H,18H2,1H3,(H2,19,21);1-4,7H,5-6H2,(H,13,15)
InChIKeyXOCOEMYCYURWGF-UHFFFAOYSA-N
XLogP4.76
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(1-formylcyclopropanecarbonyl)amino]phenoxy]-6-methylquinoline-7-carboxylic acid
CID 139366087
1-N-[4-[6-carbamoyl-7-(2-hydroxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350049
1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
CID 155382068
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028
1-N'-[6-[6-carbamoyl-7-(2-hydroxyethoxy)quinolin-4-yl]oxy-5-fluoro-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155674598
4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-(methylamino)quinoline-6-carboxylic acid
CID 139350637
1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(5-methylfuran-2-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 139350655
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
methyl 4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinoline-6-carboxylate
CID 139350474
methyl N-[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-methoxyquinolin-6-yl]carbamate
CID 139350519
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
1-N-[4-[(6-carbamoyl-7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139367674

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide?
The IUPAC name of 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide (CID 153329906) is 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide.
What is the SMILES notation for 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide?
The canonical SMILES for 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide is Cc1cc2c(Oc3ccc(N)cc3)ccnc2cc1C(N)=O.O=CC1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide?
The InChIKey is XOCOEMYCYURWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.C11H10FNO2/c1-10-8-14-15(9-13(10)17(19)21)20-7-6-16(14)22-12-4-2-11(18)3-5-12;12-8-1-3-9(4-2-8)13-10(15)11(7-14)5-6-11/h2-9H,18H2,1H3,(H2,19,21);1-4,7H,5-6H2,(H,13,15).
What are the key properties of 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide?
4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide is sourced from PubChem (CID 153329906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).