N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

C19H16ClN3O2S — CID 177198739

IUPACN-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ncc(Oc2cccc(Cl)c2)s1)N1CCCc2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-3-8-15(11-14)25-17-12-21-18(26-17)22-19(24)23-10-4-6-13-5-1-2-9-16(13)23/h1-3,5,7-9,11-12H,4,6,10H2,(H,21,22,24)
InChIKeyBQZIJPSGTVKNPE-UHFFFAOYSA-N
MW385.88 g/mol
LogP5.57
Rot. Bonds3

About N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 177198739) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID177198739
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ncc(Oc2cccc(Cl)c2)s1)N1CCCc2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-3-8-15(11-14)25-17-12-21-18(26-17)22-19(24)23-10-4-6-13-5-1-2-9-16(13)23/h1-3,5,7-9,11-12H,4,6,10H2,(H,21,22,24)
InChIKeyBQZIJPSGTVKNPE-UHFFFAOYSA-N
XLogP5.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.88
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 177198739) is N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1ncc(Oc2cccc(Cl)c2)s1)N1CCCc2ccccc21.
What is the InChIKey of N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is BQZIJPSGTVKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-7-3-8-15(11-14)25-17-12-21-18(26-17)22-19(24)23-10-4-6-13-5-1-2-9-16(13)23/h1-3,5,7-9,11-12H,4,6,10H2,(H,21,22,24).
What are the key properties of N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 177198739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).