7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one

C16H21N3O3 — CID 136862735

IUPAC7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one
SMILESCCOc1cc(OC2CCN(C)CC2)c2c(=O)[nH]cnc2c1
InChIInChI=1S/C16H21N3O3/c1-3-21-12-8-13-15(16(20)18-10-17-13)14(9-12)22-11-4-6-19(2)7-5-11/h8-11H,3-7H2,1-2H3,(H,17,18,20)
InChIKeyYHQYUBDGUJTZQP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.79
Rot. Bonds4

About 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one

7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one (PubChem CID 136862735) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one
PubChem CID136862735
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one
SMILESCCOc1cc(OC2CCN(C)CC2)c2c(=O)[nH]cnc2c1
InChIInChI=1S/C16H21N3O3/c1-3-21-12-8-13-15(16(20)18-10-17-13)14(9-12)22-11-4-6-19(2)7-5-11/h8-11H,3-7H2,1-2H3,(H,17,18,20)
InChIKeyYHQYUBDGUJTZQP-UHFFFAOYSA-N
XLogP1.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one?
The IUPAC name of 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one (CID 136862735) is 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one?
The canonical SMILES for 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one is CCOc1cc(OC2CCN(C)CC2)c2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one?
The InChIKey is YHQYUBDGUJTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-21-12-8-13-15(16(20)18-10-17-13)14(9-12)22-11-4-6-19(2)7-5-11/h8-11H,3-7H2,1-2H3,(H,17,18,20).
What are the key properties of 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one?
7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one has a molecular weight of 303.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-(1-methylpiperidin-4-yl)oxy-3H-quinazolin-4-one is sourced from PubChem (CID 136862735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).