1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid

C24H24F4N4O4 — CID 118677647

IUPAC1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H24F4N4O4/c1-15(29-22(34)35)20-30-18-11-5-7-16(19(18)21(33)32(20)17-9-3-2-4-10-17)8-6-12-31-13-23(25,26)36-24(27,28)14-31/h2-5,7,9-11,15,29H,6,8,12-14H2,1H3,(H,34,35)
InChIKeyXWFKEIRBWVZFIK-UHFFFAOYSA-N
MW508.47 g/mol
LogP4.16
Rot. Bonds7

About 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid

1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid (PubChem CID 118677647) has the molecular formula C24H24F4N4O4 and a molecular weight of 508.47 g/mol. Its IUPAC name is 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid
PubChem CID118677647
Molecular FormulaC24H24F4N4O4
Molecular Weight508.47 g/mol
Exact Mass508.17
IUPAC Name1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H24F4N4O4/c1-15(29-22(34)35)20-30-18-11-5-7-16(19(18)21(33)32(20)17-9-3-2-4-10-17)8-6-12-31-13-23(25,26)36-24(27,28)14-31/h2-5,7,9-11,15,29H,6,8,12-14H2,1H3,(H,34,35)
InChIKeyXWFKEIRBWVZFIK-UHFFFAOYSA-N
XLogP4.16
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid with MolForge

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Related Compounds

1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90235066
tert-butyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]butanoate
CID 118677919
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
1-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-4-oxo-3-phenylquinazolin-2-yl]ethylcarbamic acid
CID 118677983
1-[5-(difluoromethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233135
4-[2-(1-aminoethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-5-yl]butanoic acid
CID 118677599
tert-butyl N-[(1S)-1-[5-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-oxo-3-phenylquinazolin-2-yl]propyl]carbamate
CID 146634121
7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
CID 138624341
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
2-amino-N-[1-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123347010

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid (CID 118677647) is 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid?
The InChIKey is XWFKEIRBWVZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O4/c1-15(29-22(34)35)20-30-18-11-5-7-16(19(18)21(33)32(20)17-9-3-2-4-10-17)8-6-12-31-13-23(25,26)36-24(27,28)14-31/h2-5,7,9-11,15,29H,6,8,12-14H2,1H3,(H,34,35).
What are the key properties of 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid?
1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid has a molecular weight of 508.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid is sourced from PubChem (CID 118677647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).