N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine

C25H15ClF2N4 — CID 70789669

IUPACN-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)c(Cl)c1
InChIInChI=1S/C25H15ClF2N4/c26-21-13-16(27)5-7-18(21)19-8-6-17(14-22(19)28)30-25-20-3-1-2-4-23(20)31-24(32-25)15-9-11-29-12-10-15/h1-14H,(H,30,31,32)
InChIKeyQAZNETPKWMQKKI-UHFFFAOYSA-N
MW444.87 g/mol
LogP7.03
Rot. Bonds4

About N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine

N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789669) has the molecular formula C25H15ClF2N4 and a molecular weight of 444.87 g/mol. Its IUPAC name is N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789669
Molecular FormulaC25H15ClF2N4
Molecular Weight444.87 g/mol
Exact Mass444.10
IUPAC NameN-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)c(Cl)c1
InChIInChI=1S/C25H15ClF2N4/c26-21-13-16(27)5-7-18(21)19-8-6-17(14-22(19)28)30-25-20-3-1-2-4-23(20)31-24(32-25)15-9-11-29-12-10-15/h1-14H,(H,30,31,32)
InChIKeyQAZNETPKWMQKKI-UHFFFAOYSA-N
XLogP7.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.87
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine (CID 70789669) is N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine is Fc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)c(Cl)c1.
What is the InChIKey of N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is QAZNETPKWMQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2N4/c26-21-13-16(27)5-7-18(21)19-8-6-17(14-22(19)28)30-25-20-3-1-2-4-23(20)31-24(32-25)15-9-11-29-12-10-15/h1-14H,(H,30,31,32).
What are the key properties of N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 444.87 g/mol, XLogP of 7.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).