2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one

C18H26N4O — CID 137152274

IUPAC2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCNCCC1CCN(C(C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H26N4O/c1-13(22-11-8-14(9-12-22)7-10-19-2)17-20-16-6-4-3-5-15(16)18(23)21-17/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,21,23)
InChIKeyDJZZTLDBRBREMR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one

2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 137152274) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID137152274
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCNCCC1CCN(C(C)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H26N4O/c1-13(22-11-8-14(9-12-22)7-10-19-2)17-20-16-6-4-3-5-15(16)18(23)21-17/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,21,23)
InChIKeyDJZZTLDBRBREMR-UHFFFAOYSA-N
XLogP2.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one (CID 137152274) is 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one is CNCCC1CCN(C(C)c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is DJZZTLDBRBREMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(22-11-8-14(9-12-22)7-10-19-2)17-20-16-6-4-3-5-15(16)18(23)21-17/h3-6,13-14,19H,7-12H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 314.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).