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

C15H22N4O2 — CID 12933888

IUPAC4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESCCOc1nc(N2CCN(C=O)CC2)nc2c1CCCC2
InChIInChI=1S/C15H22N4O2/c1-2-21-14-12-5-3-4-6-13(12)16-15(17-14)19-9-7-18(11-20)8-10-19/h11H,2-10H2,1H3
InChIKeyCMPXGAUJZADNTO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.03
Rot. Bonds4

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

4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde (PubChem CID 12933888) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
PubChem CID12933888
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
SMILESCCOc1nc(N2CCN(C=O)CC2)nc2c1CCCC2
InChIInChI=1S/C15H22N4O2/c1-2-21-14-12-5-3-4-6-13(12)16-15(17-14)19-9-7-18(11-20)8-10-19/h11H,2-10H2,1H3
InChIKeyCMPXGAUJZADNTO-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde (CID 12933888) is 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde is CCOc1nc(N2CCN(C=O)CC2)nc2c1CCCC2.
What is the InChIKey of 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is CMPXGAUJZADNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-21-14-12-5-3-4-6-13(12)16-15(17-14)19-9-7-18(11-20)8-10-19/h11H,2-10H2,1H3.
What are the key properties of 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde?
4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 290.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 12933888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).