N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

C23H21FN6O2 — CID 138586780

IUPACN-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3ncc4ccc(-c5cncc(F)c5)cc4n3)co2)CC1
InChIInChI=1S/C23H21FN6O2/c1-30-6-4-14(5-7-30)22-27-20(13-32-22)21(31)29-23-26-11-16-3-2-15(9-19(16)28-23)17-8-18(24)12-25-10-17/h2-3,8-14H,4-7H2,1H3,(H,26,28,29,31)
InChIKeyREHIXDXCPSLFBT-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.88
Rot. Bonds4

About N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 138586780) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID138586780
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3ncc4ccc(-c5cncc(F)c5)cc4n3)co2)CC1
InChIInChI=1S/C23H21FN6O2/c1-30-6-4-14(5-7-30)22-27-20(13-32-22)21(31)29-23-26-11-16-3-2-15(9-19(16)28-23)17-8-18(24)12-25-10-17/h2-3,8-14H,4-7H2,1H3,(H,26,28,29,31)
InChIKeyREHIXDXCPSLFBT-UHFFFAOYSA-N
XLogP3.88
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 138586780) is N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is CN1CCC(c2nc(C(=O)Nc3ncc4ccc(-c5cncc(F)c5)cc4n3)co2)CC1.
What is the InChIKey of N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is REHIXDXCPSLFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-30-6-4-14(5-7-30)22-27-20(13-32-22)21(31)29-23-26-11-16-3-2-15(9-19(16)28-23)17-8-18(24)12-25-10-17/h2-3,8-14H,4-7H2,1H3,(H,26,28,29,31).
What are the key properties of N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138586780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).