7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol

C22H22FN5O2 — CID 142969366

IUPAC7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol
SMILESC/C(=N\N=C\Cc1ccc(F)cc1)c1nc(N2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C22H22FN5O2/c1-15(27-25-10-8-16-4-6-17(23)7-5-16)19-21(29)20-18(3-2-9-24-20)22(26-19)28-11-13-30-14-12-28/h2-7,9-10,29H,8,11-14H2,1H3/b25-10+,27-15+
InChIKeySCGHVXRYCWUHPA-JUYFPDLHSA-N
MW407.45 g/mol
LogP3.35
Rot. Bonds5

About 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol

7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol (PubChem CID 142969366) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol
PubChem CID142969366
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol
SMILESC/C(=N\N=C\Cc1ccc(F)cc1)c1nc(N2CCOCC2)c2cccnc2c1O
InChIInChI=1S/C22H22FN5O2/c1-15(27-25-10-8-16-4-6-17(23)7-5-16)19-21(29)20-18(3-2-9-24-20)22(26-19)28-11-13-30-14-12-28/h2-7,9-10,29H,8,11-14H2,1H3/b25-10+,27-15+
InChIKeySCGHVXRYCWUHPA-JUYFPDLHSA-N
XLogP3.35
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-oxo-1,3-diazinan-1-yl)-1,6-naphthyridine-7-carboxamide
CID 22346465
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
CID 135869525
5-(1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142135337
5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
CID 10137646
tert-butyl 2-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,2,5-thiadiazepane-5-carboxylate
CID 70130185
5-[(E)-but-2-enyl]-8-morpholin-4-yl-1,7-naphthyridin-6-amine
CID 15530259
5-(1,1-dioxido-1,5,2-dithiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346260
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
CID 171541795
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol (CID 142969366) is 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol is C/C(=N\N=C\Cc1ccc(F)cc1)c1nc(N2CCOCC2)c2cccnc2c1O.
What is the InChIKey of 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol?
The InChIKey is SCGHVXRYCWUHPA-JUYFPDLHSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-15(27-25-10-8-16-4-6-17(23)7-5-16)19-21(29)20-18(3-2-9-24-20)22(26-19)28-11-13-30-14-12-28/h2-7,9-10,29H,8,11-14H2,1H3/b25-10+,27-15+.
What are the key properties of 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol?
7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol has a molecular weight of 407.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-N-[(E)-2-(4-fluorophenyl)ethylideneamino]-C-methylcarbonimidoyl]-5-morpholin-4-yl-1,6-naphthyridin-8-ol is sourced from PubChem (CID 142969366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).