N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide

C21H20FN3O3 — CID 99606624

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@H]1c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-12-11-25(19(12)13-5-3-2-4-6-13)21(28)20(27)24-17-9-14-7-8-18(26)23-16(14)10-15(17)22/h2-6,9-10,12,19H,7-8,11H2,1H3,(H,23,26)(H,24,27)/t12-,19-/m1/s1
InChIKeyPVGSIXUEXWGOON-CWTRNNRKSA-N
MW381.41 g/mol
LogP2.87
Rot. Bonds2

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide (PubChem CID 99606624) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide
PubChem CID99606624
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@H]1c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-12-11-25(19(12)13-5-3-2-4-6-13)21(28)20(27)24-17-9-14-7-8-18(26)23-16(14)10-15(17)22/h2-6,9-10,12,19H,7-8,11H2,1H3,(H,23,26)(H,24,27)/t12-,19-/m1/s1
InChIKeyPVGSIXUEXWGOON-CWTRNNRKSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide (CID 99606624) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide is C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)[C@H]1c1ccccc1.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide?
The InChIKey is PVGSIXUEXWGOON-CWTRNNRKSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-11-25(19(12)13-5-3-2-4-6-13)21(28)20(27)24-17-9-14-7-8-18(26)23-16(14)10-15(17)22/h2-6,9-10,12,19H,7-8,11H2,1H3,(H,23,26)(H,24,27)/t12-,19-/m1/s1.
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide has a molecular weight of 381.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 99606624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).