N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine

C25H21FN4OS — CID 123147149

IUPACN-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCc1cccc(F)c1)CCC2
InChIInChI=1S/C25H21FN4OS/c1-16-24(32-25(28-16)19-7-4-12-27-14-19)22-11-10-18-6-3-9-21(23(18)29-22)30-31-15-17-5-2-8-20(26)13-17/h2,4-5,7-8,10-14H,3,6,9,15H2,1H3
InChIKeyNNYUETFDWLFXNN-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.97
Rot. Bonds5

About N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine

N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123147149) has the molecular formula C25H21FN4OS and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123147149
Molecular FormulaC25H21FN4OS
Molecular Weight444.54 g/mol
Exact Mass444.14
IUPAC NameN-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCc1cccc(F)c1)CCC2
InChIInChI=1S/C25H21FN4OS/c1-16-24(32-25(28-16)19-7-4-12-27-14-19)22-11-10-18-6-3-9-21(23(18)29-22)30-31-15-17-5-2-8-20(26)13-17/h2,4-5,7-8,10-14H,3,6,9,15H2,1H3
InChIKeyNNYUETFDWLFXNN-UHFFFAOYSA-N
XLogP5.97
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine (CID 123147149) is N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine is Cc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(=NOCc1cccc(F)c1)CCC2.
What is the InChIKey of N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is NNYUETFDWLFXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4OS/c1-16-24(32-25(28-16)19-7-4-12-27-14-19)22-11-10-18-6-3-9-21(23(18)29-22)30-31-15-17-5-2-8-20(26)13-17/h2,4-5,7-8,10-14H,3,6,9,15H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine?
N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 444.54 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123147149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).