4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide

C19H16F3N3O3 — CID 76868595

IUPAC4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
SMILESCOc1cc(C(N)=NOCc2ccc(F)c3cccnc23)ccc1OC(F)F
InChIInChI=1S/C19H16F3N3O3/c1-26-16-9-11(5-7-15(16)28-19(21)22)18(23)25-27-10-12-4-6-14(20)13-3-2-8-24-17(12)13/h2-9,19H,10H2,1H3,(H2,23,25)
InChIKeySHBHMASLTDJREJ-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.82
Rot. Bonds7

About 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide

4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide (PubChem CID 76868595) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
PubChem CID76868595
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
SMILESCOc1cc(C(N)=NOCc2ccc(F)c3cccnc23)ccc1OC(F)F
InChIInChI=1S/C19H16F3N3O3/c1-26-16-9-11(5-7-15(16)28-19(21)22)18(23)25-27-10-12-4-6-14(20)13-3-2-8-24-17(12)13/h2-9,19H,10H2,1H3,(H2,23,25)
InChIKeySHBHMASLTDJREJ-UHFFFAOYSA-N
XLogP3.82
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 60561738
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
4-(difluoromethoxy)-3-methoxy-N'-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 134051463
methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate
CID 60561393
2-[[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 75134683
methyl 5-[[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 52713751
4-(difluoromethoxy)-N'-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzenecarboximidamide
CID 55501214
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 55435746
4-(difluoromethoxy)-N'-[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethoxy]-3-methoxybenzenecarboximidamide
CID 71855842
N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 60522474
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 40750965

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide (CID 76868595) is 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide is COc1cc(C(N)=NOCc2ccc(F)c3cccnc23)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide?
The InChIKey is SHBHMASLTDJREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-26-16-9-11(5-7-15(16)28-19(21)22)18(23)25-27-10-12-4-6-14(20)13-3-2-8-24-17(12)13/h2-9,19H,10H2,1H3,(H2,23,25).
What are the key properties of 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide?
4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide has a molecular weight of 391.35 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 76868595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).