3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C17H11ClN2O2 — CID 4048782

IUPAC3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2O2/c18-12-5-3-4-11(8-12)9-20-10-19-15-13-6-1-2-7-14(13)22-16(15)17(20)21/h1-8,10H,9H2
InChIKeyAVTJSSGHSXDNTF-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.84
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 4048782) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID4048782
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C17H11ClN2O2/c18-12-5-3-4-11(8-12)9-20-10-19-15-13-6-1-2-7-14(13)22-16(15)17(20)21/h1-8,10H,9H2
InChIKeyAVTJSSGHSXDNTF-UHFFFAOYSA-N
XLogP3.84
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bms-863233
CID 135564632
8-Oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 135415469
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
4-Oxobenzofuro[3,2-d]pyrimidine-3(4H)-acetic acid
CID 4962437
8-Bromo-2-(2-Chlorophenyl)[1]benzofuro[3,2-D]pyrimidin-4(3h)-One
CID 135566645
3-(Acetylamino)-5-chloro-1-benzofuran-2-carboxamide
CID 739882
8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135404025
BMS-863233 hydrochloride
CID 135564631
3-(2,5-dimethylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 4048778
N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808373
3-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071372
3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one
CID 5071373

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 4048782) is 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is AVTJSSGHSXDNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-12-5-3-4-11(8-12)9-20-10-19-15-13-6-1-2-7-14(13)22-16(15)17(20)21/h1-8,10H,9H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 310.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 4048782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).