4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde

C15H23N5O — CID 13073795

IUPAC4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
SMILESCCNc1nc(N2CCN(C=O)CC2)nc2c1CCCC2
InChIInChI=1S/C15H23N5O/c1-2-16-14-12-5-3-4-6-13(12)17-15(18-14)20-9-7-19(11-21)8-10-20/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyGOKFRZAHSSHUNV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.07
Rot. Bonds4

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

4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde (PubChem CID 13073795) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
PubChem CID13073795
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
SMILESCCNc1nc(N2CCN(C=O)CC2)nc2c1CCCC2
InChIInChI=1S/C15H23N5O/c1-2-16-14-12-5-3-4-6-13(12)17-15(18-14)20-9-7-19(11-21)8-10-20/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyGOKFRZAHSSHUNV-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carbaldehyde
CID 13073801
N-butyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 12602903
4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88772086
4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 16584663
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490
4-[6-ethyl-5-methyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 88740274
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191642
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79666378
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-(3,5-difluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde (CID 13073795) is 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde is CCNc1nc(N2CCN(C=O)CC2)nc2c1CCCC2.
What is the InChIKey of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is GOKFRZAHSSHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-16-14-12-5-3-4-6-13(12)17-15(18-14)20-9-7-19(11-21)8-10-20/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde?
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 289.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 13073795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).