4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C21H26N6O — CID 53467558

IUPAC4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C21H26N6O/c1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h3-5,7,12,15-17H,1-2,6,8-11,13-14H2
InChIKeyIWXSMKCGCBIGOG-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.58
Rot. Bonds4

About 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467558) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467558
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C21H26N6O/c1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h3-5,7,12,15-17H,1-2,6,8-11,13-14H2
InChIKeyIWXSMKCGCBIGOG-UHFFFAOYSA-N
XLogP2.58
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467558) is 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is c1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1.
What is the InChIKey of 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is IWXSMKCGCBIGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h3-5,7,12,15-17H,1-2,6,8-11,13-14H2.
What are the key properties of 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 378.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).