2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide

C20H16Cl2F2N4O — CID 69102113

IUPAC2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ncnc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2F2N4O/c21-15-3-1-2-13(17(15)22)20(29)27-12-4-6-28(7-5-12)19-14-8-11(23)9-16(24)18(14)25-10-26-19/h1-3,8-10,12H,4-7H2,(H,27,29)
InChIKeyTZIXOWQTNJFDGI-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.61
Rot. Bonds3

About 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide

2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide (PubChem CID 69102113) has the molecular formula C20H16Cl2F2N4O and a molecular weight of 437.28 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
PubChem CID69102113
Molecular FormulaC20H16Cl2F2N4O
Molecular Weight437.28 g/mol
Exact Mass436.07
IUPAC Name2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ncnc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H16Cl2F2N4O/c21-15-3-1-2-13(17(15)22)20(29)27-12-4-6-28(7-5-12)19-14-8-11(23)9-16(24)18(14)25-10-26-19/h1-3,8-10,12H,4-7H2,(H,27,29)
InChIKeyTZIXOWQTNJFDGI-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide (CID 69102113) is 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2ncnc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is TZIXOWQTNJFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F2N4O/c21-15-3-1-2-13(17(15)22)20(29)27-12-4-6-28(7-5-12)19-14-8-11(23)9-16(24)18(14)25-10-26-19/h1-3,8-10,12H,4-7H2,(H,27,29).
What are the key properties of 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 437.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 69102113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).