4-chloro-6,7-dimethoxy-2-phenylquinazoline

C16H13ClN2O2 — CID 7131387

IUPAC4-chloro-6,7-dimethoxy-2-phenylquinazoline
SMILESCOc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC
InChIInChI=1S/C16H13ClN2O2/c1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyNXUAKKINLOJPBS-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.97
Rot. Bonds3

About 4-chloro-6,7-dimethoxy-2-phenylquinazoline

4-chloro-6,7-dimethoxy-2-phenylquinazoline (PubChem CID 7131387) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxy-2-phenylquinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethoxy-2-phenylquinazoline
PubChem CID7131387
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-chloro-6,7-dimethoxy-2-phenylquinazoline
SMILESCOc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC
InChIInChI=1S/C16H13ClN2O2/c1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyNXUAKKINLOJPBS-UHFFFAOYSA-N
XLogP3.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxy-2-phenylquinazoline?
The IUPAC name of 4-chloro-6,7-dimethoxy-2-phenylquinazoline (CID 7131387) is 4-chloro-6,7-dimethoxy-2-phenylquinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethoxy-2-phenylquinazoline?
The canonical SMILES for 4-chloro-6,7-dimethoxy-2-phenylquinazoline is COc1cc2nc(-c3ccccc3)nc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6,7-dimethoxy-2-phenylquinazoline?
The InChIKey is NXUAKKINLOJPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-13-8-11-12(9-14(13)21-2)18-16(19-15(11)17)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 4-chloro-6,7-dimethoxy-2-phenylquinazoline?
4-chloro-6,7-dimethoxy-2-phenylquinazoline has a molecular weight of 300.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethoxy-2-phenylquinazoline is sourced from PubChem (CID 7131387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).