7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline

C16H10BrClN2O — CID 114590495

IUPAC7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
SMILESClc1nc(-c2ccc3c(c2)COC3)nc2cc(Br)ccc12
InChIInChI=1S/C16H10BrClN2O/c17-12-3-4-13-14(6-12)19-16(20-15(13)18)9-1-2-10-7-21-8-11(10)5-9/h1-6H,7-8H2
InChIKeyJVUUPSAUWCYESK-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.74
Rot. Bonds1

About 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline

7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline (PubChem CID 114590495) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
PubChem CID114590495
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
SMILESClc1nc(-c2ccc3c(c2)COC3)nc2cc(Br)ccc12
InChIInChI=1S/C16H10BrClN2O/c17-12-3-4-13-14(6-12)19-16(20-15(13)18)9-1-2-10-7-21-8-11(10)5-9/h1-6H,7-8H2
InChIKeyJVUUPSAUWCYESK-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline (CID 114590495) is 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline is Clc1nc(-c2ccc3c(c2)COC3)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The InChIKey is JVUUPSAUWCYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-12-3-4-13-14(6-12)19-16(20-15(13)18)9-1-2-10-7-21-8-11(10)5-9/h1-6H,7-8H2.
What are the key properties of 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline has a molecular weight of 361.63 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline is sourced from PubChem (CID 114590495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).