N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine

C18H13F2N5 — CID 71296014

IUPACN-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESCn1cc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)cn1
InChIInChI=1S/C18H13F2N5/c1-25-10-11(9-21-25)17-23-16-5-3-2-4-13(16)18(24-17)22-12-6-7-14(19)15(20)8-12/h2-10H,1H3,(H,22,23,24)
InChIKeySBLLBHVLAQEKGU-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.05
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine

N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 71296014) has the molecular formula C18H13F2N5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine
PubChem CID71296014
Molecular FormulaC18H13F2N5
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC NameN-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESCn1cc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)cn1
InChIInChI=1S/C18H13F2N5/c1-25-10-11(9-21-25)17-23-16-5-3-2-4-13(16)18(24-17)22-12-6-7-14(19)15(20)8-12/h2-10H,1H3,(H,22,23,24)
InChIKeySBLLBHVLAQEKGU-UHFFFAOYSA-N
XLogP4.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine (CID 71296014) is N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine is Cn1cc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is SBLLBHVLAQEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5/c1-25-10-11(9-21-25)17-23-16-5-3-2-4-13(16)18(24-17)22-12-6-7-14(19)15(20)8-12/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine?
N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 337.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 71296014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).