2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline

C20H15ClN2O2S — CID 22663149

IUPAC2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline
SMILESCOc1cc2nc(Cl)nc(-c3ccc(-c4ccccc4)s3)c2cc1OC
InChIInChI=1S/C20H15ClN2O2S/c1-24-15-10-13-14(11-16(15)25-2)22-20(21)23-19(13)18-9-8-17(26-18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYBDJLYSKJPGHNK-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.70
Rot. Bonds4

About 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline

2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline (PubChem CID 22663149) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline
PubChem CID22663149
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline
SMILESCOc1cc2nc(Cl)nc(-c3ccc(-c4ccccc4)s3)c2cc1OC
InChIInChI=1S/C20H15ClN2O2S/c1-24-15-10-13-14(11-16(15)25-2)22-20(21)23-19(13)18-9-8-17(26-18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyYBDJLYSKJPGHNK-UHFFFAOYSA-N
XLogP5.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline?
The IUPAC name of 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline (CID 22663149) is 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline?
The canonical SMILES for 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline is COc1cc2nc(Cl)nc(-c3ccc(-c4ccccc4)s3)c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline?
The InChIKey is YBDJLYSKJPGHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-24-15-10-13-14(11-16(15)25-2)22-20(21)23-19(13)18-9-8-17(26-18)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline?
2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline has a molecular weight of 382.87 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-4-(5-phenylthiophen-2-yl)quinazoline is sourced from PubChem (CID 22663149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).