methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate

C22H25N3O2 — CID 15262444

IUPACmethyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate
SMILESCOC(=O)CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-27-21(26)16-20-18-12-6-7-13-19(18)23-22(24-14-8-3-9-15-24)25(20)17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3
InChIKeyKJQOEXRCADXDKA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.28
Rot. Bonds3

About methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate

methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate (PubChem CID 15262444) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate
PubChem CID15262444
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namemethyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate
SMILESCOC(=O)CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-27-21(26)16-20-18-12-6-7-13-19(18)23-22(24-14-8-3-9-15-24)25(20)17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3
InChIKeyKJQOEXRCADXDKA-UHFFFAOYSA-N
XLogP4.28
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate?
The IUPAC name of methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate (CID 15262444) is methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate?
The canonical SMILES for methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate is COC(=O)CC1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1.
What is the InChIKey of methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate?
The InChIKey is KJQOEXRCADXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-21(26)16-20-18-12-6-7-13-19(18)23-22(24-14-8-3-9-15-24)25(20)17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3.
What are the key properties of methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate?
methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate has a molecular weight of 363.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetate is sourced from PubChem (CID 15262444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).