N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine

C24H16ClFN6 — CID 71180942

IUPACN-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
SMILESCc1cc(-c2cncnc2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C24H16ClFN6/c1-14-7-16(17-11-28-13-29-12-17)8-19-22(14)31-23(15-3-2-6-27-10-15)32-24(19)30-18-4-5-21(26)20(25)9-18/h2-13H,1H3,(H,30,31,32)
InChIKeyRLZVZSRVAUIVPU-UHFFFAOYSA-N
MW442.89 g/mol
LogP5.99
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 71180942) has the molecular formula C24H16ClFN6 and a molecular weight of 442.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
PubChem CID71180942
Molecular FormulaC24H16ClFN6
Molecular Weight442.89 g/mol
Exact Mass442.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
SMILESCc1cc(-c2cncnc2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C24H16ClFN6/c1-14-7-16(17-11-28-13-29-12-17)8-19-22(14)31-23(15-3-2-6-27-10-15)32-24(19)30-18-4-5-21(26)20(25)9-18/h2-13H,1H3,(H,30,31,32)
InChIKeyRLZVZSRVAUIVPU-UHFFFAOYSA-N
XLogP5.99
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.89
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine (CID 71180942) is N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine is Cc1cc(-c2cncnc2)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is RLZVZSRVAUIVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN6/c1-14-7-16(17-11-28-13-29-12-17)8-19-22(14)31-23(15-3-2-6-27-10-15)32-24(19)30-18-4-5-21(26)20(25)9-18/h2-13H,1H3,(H,30,31,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 442.89 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 71180942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).