4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline

C15H12ClN3O2 — CID 15284500

IUPAC4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
SMILESCOc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC
InChIInChI=1S/C15H12ClN3O2/c1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9/h3-8H,1-2H3
InChIKeyMSLISMWLGQWFHY-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline

4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline (PubChem CID 15284500) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
PubChem CID15284500
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
SMILESCOc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC
InChIInChI=1S/C15H12ClN3O2/c1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9/h3-8H,1-2H3
InChIKeyMSLISMWLGQWFHY-UHFFFAOYSA-N
XLogP3.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline (CID 15284500) is 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline is COc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline?
The InChIKey is MSLISMWLGQWFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9/h3-8H,1-2H3.
What are the key properties of 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline?
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline has a molecular weight of 301.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 15284500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).