N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane

C27H32FN3O5 — CID 178037456

IUPACN-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
SMILESCC1(C)CC1.COc1cc2nccc(Oc3ccc(NC=O)c(F)c3)c2cc1OC.O=CNC1CC1
InChIInChI=1S/C18H15FN2O4.C5H10.C4H7NO/c1-23-17-8-12-15(9-18(17)24-2)20-6-5-16(12)25-11-3-4-14(21-10-22)13(19)7-11;1-5(2)3-4-5;6-3-5-4-1-2-4/h3-10H,1-2H3,(H,21,22);3-4H2,1-2H3;3-4H,1-2H2,(H,5,6)
InChIKeySNIAOSSQZAQMJK-UHFFFAOYSA-N
MW497.57 g/mol
LogP5.45
Rot. Bonds8

About N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane

N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane (PubChem CID 178037456) has the molecular formula C27H32FN3O5 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane.

Molecular Properties

Compound NameN-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
PubChem CID178037456
Molecular FormulaC27H32FN3O5
Molecular Weight497.57 g/mol
Exact Mass497.23
IUPAC NameN-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
SMILESCC1(C)CC1.COc1cc2nccc(Oc3ccc(NC=O)c(F)c3)c2cc1OC.O=CNC1CC1
InChIInChI=1S/C18H15FN2O4.C5H10.C4H7NO/c1-23-17-8-12-15(9-18(17)24-2)20-6-5-16(12)25-11-3-4-14(21-10-22)13(19)7-11;1-5(2)3-4-5;6-3-5-4-1-2-4/h3-10H,1-2H3,(H,21,22);3-4H2,1-2H3;3-4H,1-2H2,(H,5,6)
InChIKeySNIAOSSQZAQMJK-UHFFFAOYSA-N
XLogP5.45
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane with MolForge

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Related Compounds

2-fluoro-4-[6-methoxy-7-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 142235117
N-cyclohexyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroanilino]-1-methylpyrazole-4-carboxamide
CID 139555505
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
CID 143878405
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 22936280
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(3,3-dimethylbutyl)urea
CID 23022829
1-N-(3,4-difluorophenyl)-1-N'-[2-fluoro-4-[6-methoxy-7-[[1-(oxan-4-ylamino)cyclopropyl]methoxy]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 56933321
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane?
The IUPAC name of N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane (CID 178037456) is N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane.
What is the SMILES notation for N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane?
The canonical SMILES for N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane is CC1(C)CC1.COc1cc2nccc(Oc3ccc(NC=O)c(F)c3)c2cc1OC.O=CNC1CC1.
What is the InChIKey of N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane?
The InChIKey is SNIAOSSQZAQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4.C5H10.C4H7NO/c1-23-17-8-12-15(9-18(17)24-2)20-6-5-16(12)25-11-3-4-14(21-10-22)13(19)7-11;1-5(2)3-4-5;6-3-5-4-1-2-4/h3-10H,1-2H3,(H,21,22);3-4H2,1-2H3;3-4H,1-2H2,(H,5,6).
What are the key properties of N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane?
N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane has a molecular weight of 497.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane is sourced from PubChem (CID 178037456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).