6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline

C25H14ClFN4S — CID 10321852

IUPAC6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
SMILESFc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27/h1-14H
InChIKeyYMGMFIBBSLIZAA-UHFFFAOYSA-N
MW456.93 g/mol
LogP7.16
Rot. Bonds3

About 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline

6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline (PubChem CID 10321852) has the molecular formula C25H14ClFN4S and a molecular weight of 456.93 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
PubChem CID10321852
Molecular FormulaC25H14ClFN4S
Molecular Weight456.93 g/mol
Exact Mass456.06
IUPAC Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
SMILESFc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27/h1-14H
InChIKeyYMGMFIBBSLIZAA-UHFFFAOYSA-N
XLogP7.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline (CID 10321852) is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline is Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
The InChIKey is YMGMFIBBSLIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClFN4S/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27/h1-14H.
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline?
6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline has a molecular weight of 456.93 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline is sourced from PubChem (CID 10321852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).