N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine

C26H18F2N4O — CID 70789686

IUPACN-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)cc1F
InChIInChI=1S/C26H18F2N4O/c1-33-24-9-6-17(14-22(24)28)19-8-7-18(15-21(19)27)30-26-20-4-2-3-5-23(20)31-25(32-26)16-10-12-29-13-11-16/h2-15H,1H3,(H,30,31,32)
InChIKeyXRVWKASRMPCQCM-UHFFFAOYSA-N
MW440.45 g/mol
LogP6.39
Rot. Bonds5

About N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine

N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789686) has the molecular formula C26H18F2N4O and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789686
Molecular FormulaC26H18F2N4O
Molecular Weight440.45 g/mol
Exact Mass440.14
IUPAC NameN-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)cc1F
InChIInChI=1S/C26H18F2N4O/c1-33-24-9-6-17(14-22(24)28)19-8-7-18(15-21(19)27)30-26-20-4-2-3-5-23(20)31-25(32-26)16-10-12-29-13-11-16/h2-15H,1H3,(H,30,31,32)
InChIKeyXRVWKASRMPCQCM-UHFFFAOYSA-N
XLogP6.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine (CID 70789686) is N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine is COc1ccc(-c2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2F)cc1F.
What is the InChIKey of N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is XRVWKASRMPCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O/c1-33-24-9-6-17(14-22(24)28)19-8-7-18(15-21(19)27)30-26-20-4-2-3-5-23(20)31-25(32-26)16-10-12-29-13-11-16/h2-15H,1H3,(H,30,31,32).
What are the key properties of N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 440.45 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).