4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde

C14H16N4O — CID 57469649

IUPAC4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
SMILESCN1CCN(c2ncnc3ccc(C=O)cc23)CC1
InChIInChI=1S/C14H16N4O/c1-17-4-6-18(7-5-17)14-12-8-11(9-19)2-3-13(12)15-10-16-14/h2-3,8-10H,4-7H2,1H3
InChIKeyRFRQLWQQUVQUPH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.19
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde

4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde (PubChem CID 57469649) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
PubChem CID57469649
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
SMILESCN1CCN(c2ncnc3ccc(C=O)cc23)CC1
InChIInChI=1S/C14H16N4O/c1-17-4-6-18(7-5-17)14-12-8-11(9-19)2-3-13(12)15-10-16-14/h2-3,8-10H,4-7H2,1H3
InChIKeyRFRQLWQQUVQUPH-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.19
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-methylpiperazin-1-yl)quinazoline-6-carbaldehyde?
The IUPAC name of 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde (CID 57469649) is 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde is CN1CCN(c2ncnc3ccc(C=O)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde?
The InChIKey is RFRQLWQQUVQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-4-6-18(7-5-17)14-12-8-11(9-19)2-3-13(12)15-10-16-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde?
4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde has a molecular weight of 256.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde is sourced from PubChem (CID 57469649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).