2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C12H11BrN2O2 — CID 136965533

IUPAC2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2occc2Br)nc2c1CCCC2
InChIInChI=1S/C12H11BrN2O2/c13-8-5-6-17-10(8)11-14-9-4-2-1-3-7(9)12(16)15-11/h5-6H,1-4H2,(H,14,15,16)
InChIKeyACLJDRBBQLMIQU-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.67
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136965533) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136965533
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2occc2Br)nc2c1CCCC2
InChIInChI=1S/C12H11BrN2O2/c13-8-5-6-17-10(8)11-14-9-4-2-1-3-7(9)12(16)15-11/h5-6H,1-4H2,(H,14,15,16)
InChIKeyACLJDRBBQLMIQU-UHFFFAOYSA-N
XLogP2.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136829190
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 106889323
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
2-(3-bromo-4-chlorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136924208
2-(4-bromo-5-chlorothiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136683061
2-(4-bromo-5-methylthiophen-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136683063
2-(2,4-dichlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975344
2-(2-ethylpyrazol-3-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137015390
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135830947
2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106886137
2-(3-bromofuran-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 106886131

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136965533) is 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2occc2Br)nc2c1CCCC2.
What is the InChIKey of 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is ACLJDRBBQLMIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-8-5-6-17-10(8)11-14-9-4-2-1-3-7(9)12(16)15-11/h5-6H,1-4H2,(H,14,15,16).
What are the key properties of 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 295.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136965533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).