N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H16ClN3O3S — CID 55610173

IUPACN-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCCc3cc(Cl)ccc32)cs1)c1ccco1
InChIInChI=1S/C19H16ClN3O3S/c20-13-5-6-15-12(9-13)3-1-7-23(15)17(24)10-14-11-27-19(21-14)22-18(25)16-4-2-8-26-16/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,22,25)
InChIKeyDEKLHFROILXCNA-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.16
Rot. Bonds4

About N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55610173) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID55610173
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCCc3cc(Cl)ccc32)cs1)c1ccco1
InChIInChI=1S/C19H16ClN3O3S/c20-13-5-6-15-12(9-13)3-1-7-23(15)17(24)10-14-11-27-19(21-14)22-18(25)16-4-2-8-26-16/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,22,25)
InChIKeyDEKLHFROILXCNA-UHFFFAOYSA-N
XLogP4.16
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55610173) is N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CC(=O)N2CCCc3cc(Cl)ccc32)cs1)c1ccco1.
What is the InChIKey of N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is DEKLHFROILXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-13-5-6-15-12(9-13)3-1-7-23(15)17(24)10-14-11-27-19(21-14)22-18(25)16-4-2-8-26-16/h2,4-6,8-9,11H,1,3,7,10H2,(H,21,22,25).
What are the key properties of N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55610173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).