N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C22H19F2N3O2S — CID 26262558

IUPACN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O2S/c1-12-20(14-6-8-16(23)17(24)11-14)27-22(30-12)26-19(28)9-7-15-10-13-4-2-3-5-18(13)25-21(15)29/h2-6,8,11,15H,7,9-10H2,1H3,(H,25,29)(H,26,27,28)/t15-/m0/s1
InChIKeyDDBYUSWCAODIGN-HNNXBMFYSA-N
MW427.48 g/mol
LogP4.93
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26262558) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID26262558
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O2S/c1-12-20(14-6-8-16(23)17(24)11-14)27-22(30-12)26-19(28)9-7-15-10-13-4-2-3-5-18(13)25-21(15)29/h2-6,8,11,15H,7,9-10H2,1H3,(H,25,29)(H,26,27,28)/t15-/m0/s1
InChIKeyDDBYUSWCAODIGN-HNNXBMFYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26262558) is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is Cc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is DDBYUSWCAODIGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-12-20(14-6-8-16(23)17(24)11-14)27-22(30-12)26-19(28)9-7-15-10-13-4-2-3-5-18(13)25-21(15)29/h2-6,8,11,15H,7,9-10H2,1H3,(H,25,29)(H,26,27,28)/t15-/m0/s1.
What are the key properties of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26262558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).