4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide

C22H21FN2O3 — CID 100772769

IUPAC4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12
InChIInChI=1S/C22H21FN2O3/c1-27-19-9-8-18(17-3-2-12-24-20(17)19)25-21(26)22(10-13-28-14-11-22)15-4-6-16(23)7-5-15/h2-9,12H,10-11,13-14H2,1H3,(H,25,26)
InChIKeyWPVUTFJCAIQOQR-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.07
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide (PubChem CID 100772769) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
PubChem CID100772769
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12
InChIInChI=1S/C22H21FN2O3/c1-27-19-9-8-18(17-3-2-12-24-20(17)19)25-21(26)22(10-13-28-14-11-22)15-4-6-16(23)7-5-15/h2-9,12H,10-11,13-14H2,1H3,(H,25,26)
InChIKeyWPVUTFJCAIQOQR-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772965
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770449
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100772730
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
2-(3,4-dichlorophenyl)-N-(8-methoxyquinolin-5-yl)acetamide
CID 60575303

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide (CID 100772769) is 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12.
What is the InChIKey of 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide?
The InChIKey is WPVUTFJCAIQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-19-9-8-18(17-3-2-12-24-20(17)19)25-21(26)22(10-13-28-14-11-22)15-4-6-16(23)7-5-15/h2-9,12H,10-11,13-14H2,1H3,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 100772769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).