4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one

C20H20ClFN4O3 — CID 171561938

IUPAC4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CN1CCF
InChIInChI=1S/C20H20ClFN4O3/c21-20-24-18-15(19(25-20)23-10-14-3-2-8-28-14)4-1-5-16(18)29-12-13-9-17(27)26(11-13)7-6-22/h1-5,8,13H,6-7,9-12H2,(H,23,24,25)
InChIKeyIJITZSJEYADJMH-UHFFFAOYSA-N
MW418.86 g/mol
LogP3.69
Rot. Bonds8

About 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one

4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one (PubChem CID 171561938) has the molecular formula C20H20ClFN4O3 and a molecular weight of 418.86 g/mol. Its IUPAC name is 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
PubChem CID171561938
Molecular FormulaC20H20ClFN4O3
Molecular Weight418.86 g/mol
Exact Mass418.12
IUPAC Name4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CN1CCF
InChIInChI=1S/C20H20ClFN4O3/c21-20-24-18-15(19(25-20)23-10-14-3-2-8-28-14)4-1-5-16(18)29-12-13-9-17(27)26(11-13)7-6-22/h1-5,8,13H,6-7,9-12H2,(H,23,24,25)
InChIKeyIJITZSJEYADJMH-UHFFFAOYSA-N
XLogP3.69
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
CID 171561853
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
5-[[2,7-dichloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 171562018
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171561839
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 171561891
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 170644081
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
6-[(2R)-2-amino-3,3-difluoropropyl]-2,7-dichloro-N-(furan-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 177282069
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one (CID 171561938) is 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one is O=C1CC(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CN1CCF.
What is the InChIKey of 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one?
The InChIKey is IJITZSJEYADJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3/c21-20-24-18-15(19(25-20)23-10-14-3-2-8-28-14)4-1-5-16(18)29-12-13-9-17(27)26(11-13)7-6-22/h1-5,8,13H,6-7,9-12H2,(H,23,24,25).
What are the key properties of 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one?
4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one has a molecular weight of 418.86 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 171561938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).