5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one

C19H19ClN4O3 — CID 171561853

IUPAC5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESCC1(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CCC(=O)N1
InChIInChI=1S/C19H19ClN4O3/c1-19(8-7-15(25)24-19)11-27-14-6-2-5-13-16(14)22-18(20)23-17(13)21-10-12-4-3-9-26-12/h2-6,9H,7-8,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyKUUXHHXNDKGUCV-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.54
Rot. Bonds6

About 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one

5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one (PubChem CID 171561853) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
PubChem CID171561853
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESCC1(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CCC(=O)N1
InChIInChI=1S/C19H19ClN4O3/c1-19(8-7-15(25)24-19)11-27-14-6-2-5-13-16(14)22-18(20)23-17(13)21-10-12-4-3-9-26-12/h2-6,9H,7-8,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyKUUXHHXNDKGUCV-UHFFFAOYSA-N
XLogP3.54
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
4-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-1-(2-fluoroethyl)pyrrolidin-2-one
CID 171561938
5-[[2,7-dichloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 171562018
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one (CID 171561853) is 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one is CC1(COc2cccc3c(NCc4ccco4)nc(Cl)nc23)CCC(=O)N1.
What is the InChIKey of 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The InChIKey is KUUXHHXNDKGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-19(8-7-15(25)24-19)11-27-14-6-2-5-13-16(14)22-18(20)23-17(13)21-10-12-4-3-9-26-12/h2-6,9H,7-8,10-11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one?
5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one has a molecular weight of 386.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 171561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).