4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide

C23H25BrN4O3 — CID 174448097

IUPAC4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cccc(OC(C)C4CCNCC4)c23)ccc1Br
InChIInChI=1S/C23H25BrN4O3/c1-14(15-8-10-25-11-9-15)31-19-5-3-4-18-21(19)22(27-13-26-18)28-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28,29)
InChIKeyYTICCKAEBSCLMI-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.42
Rot. Bonds6

About 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide

4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide (PubChem CID 174448097) has the molecular formula C23H25BrN4O3 and a molecular weight of 485.38 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide
PubChem CID174448097
Molecular FormulaC23H25BrN4O3
Molecular Weight485.38 g/mol
Exact Mass484.11
IUPAC Name4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cccc(OC(C)C4CCNCC4)c23)ccc1Br
InChIInChI=1S/C23H25BrN4O3/c1-14(15-8-10-25-11-9-15)31-19-5-3-4-18-21(19)22(27-13-26-18)28-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28,29)
InChIKeyYTICCKAEBSCLMI-UHFFFAOYSA-N
XLogP4.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide?
The IUPAC name of 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide (CID 174448097) is 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide?
The canonical SMILES for 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide is COc1cc(C(=O)Nc2ncnc3cccc(OC(C)C4CCNCC4)c23)ccc1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide?
The InChIKey is YTICCKAEBSCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O3/c1-14(15-8-10-25-11-9-15)31-19-5-3-4-18-21(19)22(27-13-26-18)28-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide?
4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide has a molecular weight of 485.38 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide is sourced from PubChem (CID 174448097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).