N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine

C23H14ClFN4S — CID 71274191

IUPACN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4ccsc4)cc23)cc1Cl
InChIInChI=1S/C23H14ClFN4S/c24-19-11-17(4-5-20(19)25)27-23-18-10-14(16-7-9-30-13-16)3-6-21(18)28-22(29-23)15-2-1-8-26-12-15/h1-13H,(H,27,28,29)
InChIKeyOQPOGQIJTFZSGA-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.96
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine (PubChem CID 71274191) has the molecular formula C23H14ClFN4S and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine
PubChem CID71274191
Molecular FormulaC23H14ClFN4S
Molecular Weight432.91 g/mol
Exact Mass432.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4ccsc4)cc23)cc1Cl
InChIInChI=1S/C23H14ClFN4S/c24-19-11-17(4-5-20(19)25)27-23-18-10-14(16-7-9-30-13-16)3-6-21(18)28-22(29-23)15-2-1-8-26-12-15/h1-13H,(H,27,28,29)
InChIKeyOQPOGQIJTFZSGA-UHFFFAOYSA-N
XLogP6.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine (CID 71274191) is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4ccsc4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine?
The InChIKey is OQPOGQIJTFZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4S/c24-19-11-17(4-5-20(19)25)27-23-18-10-14(16-7-9-30-13-16)3-6-21(18)28-22(29-23)15-2-1-8-26-12-15/h1-13H,(H,27,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine has a molecular weight of 432.91 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).