2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline

C24H17ClN4O2 — CID 177382951

IUPAC2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline
SMILESCOc1cc(OC)cc(-c2ccc3nc(-c4cccc5cnc(Cl)nc45)ncc3c2)c1
InChIInChI=1S/C24H17ClN4O2/c1-30-18-9-16(10-19(11-18)31-2)14-6-7-21-17(8-14)13-26-23(28-21)20-5-3-4-15-12-27-24(25)29-22(15)20/h3-13H,1-2H3
InChIKeyDDDILPBIUKBAKH-UHFFFAOYSA-N
MW428.88 g/mol
LogP5.58
Rot. Bonds4

About 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline

2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline (PubChem CID 177382951) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline.

Molecular Properties

Compound Name2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline
PubChem CID177382951
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline
SMILESCOc1cc(OC)cc(-c2ccc3nc(-c4cccc5cnc(Cl)nc45)ncc3c2)c1
InChIInChI=1S/C24H17ClN4O2/c1-30-18-9-16(10-19(11-18)31-2)14-6-7-21-17(8-14)13-26-23(28-21)20-5-3-4-15-12-27-24(25)29-22(15)20/h3-13H,1-2H3
InChIKeyDDDILPBIUKBAKH-UHFFFAOYSA-N
XLogP5.58
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline?
The IUPAC name of 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline (CID 177382951) is 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline.
What is the SMILES notation for 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline?
The canonical SMILES for 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline is COc1cc(OC)cc(-c2ccc3nc(-c4cccc5cnc(Cl)nc45)ncc3c2)c1.
What is the InChIKey of 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline?
The InChIKey is DDDILPBIUKBAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c1-30-18-9-16(10-19(11-18)31-2)14-6-7-21-17(8-14)13-26-23(28-21)20-5-3-4-15-12-27-24(25)29-22(15)20/h3-13H,1-2H3.
What are the key properties of 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline?
2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline has a molecular weight of 428.88 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[6-(3,5-dimethoxyphenyl)quinazolin-2-yl]quinazoline is sourced from PubChem (CID 177382951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).