N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide

C23H24F2N2O5 — CID 129259923

IUPACN-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide
SMILESCC1n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)C(C)(C)C12CCCO2
InChIInChI=1S/C23H24F2N2O5/c1-12-23(7-4-8-32-23)22(2,3)20(30)17-19(29)18(28)15(11-27(12)17)21(31)26-10-13-5-6-14(24)9-16(13)25/h5-6,9,11-12,29H,4,7-8,10H2,1-3H3,(H,26,31)
InChIKeyBURPHEICCOHYSF-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.09
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide (PubChem CID 129259923) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide
PubChem CID129259923
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide
SMILESCC1n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)C(C)(C)C12CCCO2
InChIInChI=1S/C23H24F2N2O5/c1-12-23(7-4-8-32-23)22(2,3)20(30)17-19(29)18(28)15(11-27(12)17)21(31)26-10-13-5-6-14(24)9-16(13)25/h5-6,9,11-12,29H,4,7-8,10H2,1-3H3,(H,26,31)
InChIKeyBURPHEICCOHYSF-UHFFFAOYSA-N
XLogP3.09
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;methanol
CID 163235218
(8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-methyl-2,9-dioxo-8-propyl-6,7-dihydroquinolizine-3-carboxamide
CID 155273828
(3R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 176520150
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-1',2,3'-trimethyl-4',6'-dioxospiro[oxolane-3,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 118183429
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt
CID 67179015
(3S,7R)-2,2,7-trideuterio-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 71471431
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838
N-[(2,4-difluorophenyl)methyl]-6-hydroxy-1-methyl-5,8-dioxospiro[13-oxa-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-11,1'-cyclopropane]-4-carboxamide
CID 155258969
N-[(2,4-difluorophenyl)methyl]-6-hydroxy-12-methylsulfonyl-5,8-dioxo-2,9,12-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145760
N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
CID 170286907
(3S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 66596574

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide (CID 129259923) is N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide is CC1n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)C(C)(C)C12CCCO2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide?
The InChIKey is BURPHEICCOHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c1-12-23(7-4-8-32-23)22(2,3)20(30)17-19(29)18(28)15(11-27(12)17)21(31)26-10-13-5-6-14(24)9-16(13)25/h5-6,9,11-12,29H,4,7-8,10H2,1-3H3,(H,26,31).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6,8,8-trimethyl-2,9-dioxospiro[6H-quinolizine-7,2'-oxolane]-3-carboxamide is sourced from PubChem (CID 129259923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).