4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide

C20H17FN6O — CID 66761937

IUPAC4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)c3ncnc(NCc4cccc(F)c4)c3c2)cn1
InChIInChI=1S/C20H17FN6O/c1-27-10-14(9-26-27)13-6-16(19(22)28)18-17(7-13)20(25-11-24-18)23-8-12-3-2-4-15(21)5-12/h2-7,9-11H,8H2,1H3,(H2,22,28)(H,23,24,25)
InChIKeyVJBYQFPMEPNNCU-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.88
Rot. Bonds5

About 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide

4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide (PubChem CID 66761937) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide
PubChem CID66761937
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)c3ncnc(NCc4cccc(F)c4)c3c2)cn1
InChIInChI=1S/C20H17FN6O/c1-27-10-14(9-26-27)13-6-16(19(22)28)18-17(7-13)20(25-11-24-18)23-8-12-3-2-4-15(21)5-12/h2-7,9-11H,8H2,1H3,(H2,22,28)(H,23,24,25)
InChIKeyVJBYQFPMEPNNCU-UHFFFAOYSA-N
XLogP2.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide (CID 66761937) is 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide is Cn1cc(-c2cc(C(N)=O)c3ncnc(NCc4cccc(F)c4)c3c2)cn1.
What is the InChIKey of 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide?
The InChIKey is VJBYQFPMEPNNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-27-10-14(9-26-27)13-6-16(19(22)28)18-17(7-13)20(25-11-24-18)23-8-12-3-2-4-15(21)5-12/h2-7,9-11H,8H2,1H3,(H2,22,28)(H,23,24,25).
What are the key properties of 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide?
4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 66761937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).