4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline

C25H19N3O2 — CID 25057242

IUPAC4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4cnc5ccccc5c4)cc23)cc1OC
InChIInChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,1-2H3
InChIKeyFCCLVMAOXQVMPJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.53
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline

4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline (PubChem CID 25057242) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline
PubChem CID25057242
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4cnc5ccccc5c4)cc23)cc1OC
InChIInChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,1-2H3
InChIKeyFCCLVMAOXQVMPJ-UHFFFAOYSA-N
XLogP5.53
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline (CID 25057242) is 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline is COc1ccc(-c2ncnc3ccc(-c4cnc5ccccc5c4)cc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline?
The InChIKey is FCCLVMAOXQVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-29-23-10-8-18(13-24(23)30-2)25-20-12-16(7-9-22(20)27-15-28-25)19-11-17-5-3-4-6-21(17)26-14-19/h3-15H,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline?
4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline has a molecular weight of 393.45 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-quinolin-3-ylquinazoline is sourced from PubChem (CID 25057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).