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[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone

C21H18FN5O2 — CID 46893654

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCc1cc(Nc2nc(C(=O)c3ccc(F)c(OC)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H18FN5O2/c1-3-13-11-18(27-26-13)24-20-14-6-4-5-7-16(14)23-21(25-20)19(28)12-8-9-15(22)17(10-12)29-2/h4-11H,3H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyNTCQNKICUYFPQA-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.04
Rot. Bonds6

About [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone

[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 46893654) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID46893654
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCc1cc(Nc2nc(C(=O)c3ccc(F)c(OC)c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H18FN5O2/c1-3-13-11-18(27-26-13)24-20-14-6-4-5-7-16(14)23-21(25-20)19(28)12-8-9-15(22)17(10-12)29-2/h4-11H,3H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyNTCQNKICUYFPQA-UHFFFAOYSA-N
XLogP4.04
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone (CID 46893654) is [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone is CCc1cc(Nc2nc(C(=O)c3ccc(F)c(OC)c3)nc3ccccc23)n[nH]1.
What is the InChIKey of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is NTCQNKICUYFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-3-13-11-18(27-26-13)24-20-14-6-4-5-7-16(14)23-21(25-20)19(28)12-8-9-15(22)17(10-12)29-2/h4-11H,3H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone?
[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 391.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 46893654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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