4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide

C17H19FN4O4 — CID 118414564

IUPAC4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ncnc2cc(C(N)=O)c(OC)cc12
InChIInChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1
InChIKeyNGEKUXCUYOCHMU-PELMWDNLSA-N
MW362.36 g/mol
LogP0.98
Rot. Bonds6

About 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide

4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide (PubChem CID 118414564) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide.

Molecular Properties

Compound Name4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide
PubChem CID118414564
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ncnc2cc(C(N)=O)c(OC)cc12
InChIInChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1
InChIKeyNGEKUXCUYOCHMU-PELMWDNLSA-N
XLogP0.98
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide?
The IUPAC name of 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide (CID 118414564) is 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide.
What is the SMILES notation for 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide?
The canonical SMILES for 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ncnc2cc(C(N)=O)c(OC)cc12.
What is the InChIKey of 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide?
The InChIKey is NGEKUXCUYOCHMU-PELMWDNLSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1.
What are the key properties of 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide?
4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-6-methoxyquinazoline-7-carboxamide is sourced from PubChem (CID 118414564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).