N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine

C19H28N4O — CID 59551670

IUPACN,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
SMILESCCN(CC)CCOc1ccc2c(C3CCNCC3)ncnc2c1
InChIInChI=1S/C19H28N4O/c1-3-23(4-2)11-12-24-16-5-6-17-18(13-16)21-14-22-19(17)15-7-9-20-10-8-15/h5-6,13-15,20H,3-4,7-12H2,1-2H3
InChIKeyOVSOVAFJGHRTEP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.82
Rot. Bonds7

About N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine

N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine (PubChem CID 59551670) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
PubChem CID59551670
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
SMILESCCN(CC)CCOc1ccc2c(C3CCNCC3)ncnc2c1
InChIInChI=1S/C19H28N4O/c1-3-23(4-2)11-12-24-16-5-6-17-18(13-16)21-14-22-19(17)15-7-9-20-10-8-15/h5-6,13-15,20H,3-4,7-12H2,1-2H3
InChIKeyOVSOVAFJGHRTEP-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine (CID 59551670) is N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine is CCN(CC)CCOc1ccc2c(C3CCNCC3)ncnc2c1.
What is the InChIKey of N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine?
The InChIKey is OVSOVAFJGHRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-23(4-2)11-12-24-16-5-6-17-18(13-16)21-14-22-19(17)15-7-9-20-10-8-15/h5-6,13-15,20H,3-4,7-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine?
N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine is sourced from PubChem (CID 59551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).