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

C23H23FN4O4 — CID 71703406

IUPACN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O
InChIInChI=1S/C23H23FN4O4/c1-14-26-18-8-7-16(24)12-17(18)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)19-5-3-4-6-20(19)32-2/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30)
InChIKeyBAULYBCOTPKIMX-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.02
Rot. Bonds6

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

N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71703406) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71703406
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC NameN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O
InChIInChI=1S/C23H23FN4O4/c1-14-26-18-8-7-16(24)12-17(18)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)19-5-3-4-6-20(19)32-2/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30)
InChIKeyBAULYBCOTPKIMX-UHFFFAOYSA-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

(3R)-N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 96557141
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29133806
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
(3R)-1-(2-methoxyphenyl)-N-[2-(3-methylbut-2-enoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97161779
1-(2-methoxyphenyl)-5-oxo-N-(quinolin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 91787400
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
(3S)-N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29139321
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86286425

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 71703406) is N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O.
What is the InChIKey of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BAULYBCOTPKIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-14-26-18-8-7-16(24)12-17(18)23(31)27(14)10-9-25-22(30)15-11-21(29)28(13-15)19-5-3-4-6-20(19)32-2/h3-8,12,15H,9-11,13H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-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 N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71703406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).