4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde

C17H25N5O2 — CID 13073801

IUPAC4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1
InChIInChI=1S/C17H25N5O2/c23-13-20-5-7-22(8-6-20)17-18-15-4-2-1-3-14(15)16(19-17)21-9-11-24-12-10-21/h13H,1-12H2
InChIKeyOEILXJCUCZWAJO-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.47
Rot. Bonds3

About 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde

4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde (PubChem CID 13073801) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
PubChem CID13073801
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1
InChIInChI=1S/C17H25N5O2/c23-13-20-5-7-22(8-6-20)17-18-15-4-2-1-3-14(15)16(19-17)21-9-11-24-12-10-21/h13H,1-12H2
InChIKeyOEILXJCUCZWAJO-UHFFFAOYSA-N
XLogP0.47
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde (CID 13073801) is 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1.
What is the InChIKey of 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is OEILXJCUCZWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-13-20-5-7-22(8-6-20)17-18-15-4-2-1-3-14(15)16(19-17)21-9-11-24-12-10-21/h13H,1-12H2.
What are the key properties of 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 331.42 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 13073801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).