(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H23FN4O4 — CID 96557141

IUPAC(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)cc1
InChIInChI=1S/C23H23FN4O4/c1-14-26-20-8-3-16(24)12-19(20)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)17-4-6-18(32-2)7-5-17/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyGLEMFIHCOZCMIS-OAHLLOKOSA-N
MW438.46 g/mol
LogP2.02
Rot. Bonds6

About (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 96557141) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID96557141
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)cc1
InChIInChI=1S/C23H23FN4O4/c1-14-26-20-8-3-16(24)12-19(20)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)17-4-6-18(32-2)7-5-17/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyGLEMFIHCOZCMIS-OAHLLOKOSA-N
XLogP2.02
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71703406
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086788
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 124760136
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
1-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310626
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 96557141) is (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)cc1.
What is the InChIKey of (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLEMFIHCOZCMIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-14-26-20-8-3-16(24)12-19(20)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)17-4-6-18(32-2)7-5-17/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 96557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).