4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline

C16H10Cl2N2O — CID 114590291

IUPAC4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
SMILESClc1cccc2nc(-c3ccc4c(c3)COC4)nc(Cl)c12
InChIInChI=1S/C16H10Cl2N2O/c17-12-2-1-3-13-14(12)15(18)20-16(19-13)9-4-5-10-7-21-8-11(10)6-9/h1-6H,7-8H2
InChIKeyXESBOVYFMVTLBW-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.63
Rot. Bonds1

About 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline

4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline (PubChem CID 114590291) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline.

Molecular Properties

Compound Name4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
PubChem CID114590291
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
SMILESClc1cccc2nc(-c3ccc4c(c3)COC4)nc(Cl)c12
InChIInChI=1S/C16H10Cl2N2O/c17-12-2-1-3-13-14(12)15(18)20-16(19-13)9-4-5-10-7-21-8-11(10)6-9/h1-6H,7-8H2
InChIKeyXESBOVYFMVTLBW-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590495
6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
CID 11368185
2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
CID 114590319
4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
CID 114589771
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
4,7-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
CID 63496786
3-(1,3-dihydro-2-benzofuran-5-yl)aniline
CID 63020601
4,5-dichloro-2-ethylquinazoline
CID 114590314
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The IUPAC name of 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline (CID 114590291) is 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline.
What is the SMILES notation for 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The canonical SMILES for 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline is Clc1cccc2nc(-c3ccc4c(c3)COC4)nc(Cl)c12.
What is the InChIKey of 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
The InChIKey is XESBOVYFMVTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-2-1-3-13-14(12)15(18)20-16(19-13)9-4-5-10-7-21-8-11(10)6-9/h1-6H,7-8H2.
What are the key properties of 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline?
4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline has a molecular weight of 317.18 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline is sourced from PubChem (CID 114590291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).