N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C20H17F2N3O3S — CID 55763801

IUPACN-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N2CCCc3c(F)cc(F)cc32)cs1
InChIInChI=1S/C20H17F2N3O3S/c1-11-14(4-6-28-11)19(27)24-20-23-13(10-29-20)9-18(26)25-5-2-3-15-16(22)7-12(21)8-17(15)25/h4,6-8,10H,2-3,5,9H2,1H3,(H,23,24,27)
InChIKeyHTLSKXDBNKSQDW-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.10
Rot. Bonds4

About N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55763801) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID55763801
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N2CCCc3c(F)cc(F)cc32)cs1
InChIInChI=1S/C20H17F2N3O3S/c1-11-14(4-6-28-11)19(27)24-20-23-13(10-29-20)9-18(26)25-5-2-3-15-16(22)7-12(21)8-17(15)25/h4,6-8,10H,2-3,5,9H2,1H3,(H,23,24,27)
InChIKeyHTLSKXDBNKSQDW-UHFFFAOYSA-N
XLogP4.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55763801) is N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)N2CCCc3c(F)cc(F)cc32)cs1.
What is the InChIKey of N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is HTLSKXDBNKSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-11-14(4-6-28-11)19(27)24-20-23-13(10-29-20)9-18(26)25-5-2-3-15-16(22)7-12(21)8-17(15)25/h4,6-8,10H,2-3,5,9H2,1H3,(H,23,24,27).
What are the key properties of N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55763801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).