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

C19H12ClFN4 — CID 22478370

IUPACN-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cccnc4)cc23)cc1Cl
InChIInChI=1S/C19H12ClFN4/c20-16-9-14(4-5-17(16)21)25-19-15-8-12(13-2-1-7-22-10-13)3-6-18(15)23-11-24-19/h1-11H,(H,23,24,25)
InChIKeyILUWSTVPRMMPSE-UHFFFAOYSA-N
MW350.78 g/mol
LogP5.23
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine (PubChem CID 22478370) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine
PubChem CID22478370
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cccnc4)cc23)cc1Cl
InChIInChI=1S/C19H12ClFN4/c20-16-9-14(4-5-17(16)21)25-19-15-8-12(13-2-1-7-22-10-13)3-6-18(15)23-11-24-19/h1-11H,(H,23,24,25)
InChIKeyILUWSTVPRMMPSE-UHFFFAOYSA-N
XLogP5.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.78
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine (CID 22478370) is N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine is Fc1ccc(Nc2ncnc3ccc(-c4cccnc4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ILUWSTVPRMMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/c20-16-9-14(4-5-17(16)21)25-19-15-8-12(13-2-1-7-22-10-13)3-6-18(15)23-11-24-19/h1-11H,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine has a molecular weight of 350.78 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 22478370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).