4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid

C13H14N4O3 — CID 63263209

IUPAC4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
SMILESCC(=O)NCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N4O3/c1-8(18)14-4-5-15-12-10-3-2-9(13(19)20)6-11(10)16-7-17-12/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyHISKJMUUPSZURC-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.88
Rot. Bonds5

About 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid

4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid (PubChem CID 63263209) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
PubChem CID63263209
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
SMILESCC(=O)NCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N4O3/c1-8(18)14-4-5-15-12-10-3-2-9(13(19)20)6-11(10)16-7-17-12/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyHISKJMUUPSZURC-UHFFFAOYSA-N
XLogP0.88
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
4-[[(E)-pent-3-enyl]amino]quinazoline-7-carboxylic acid
CID 113465719
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
CID 16641767
4-[2-(trifluoromethylsulfanyl)ethylamino]quinazoline-7-carboxylic acid
CID 106429595
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
CID 106400993
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid (CID 63263209) is 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid is CC(=O)NCCNc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid?
The InChIKey is HISKJMUUPSZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8(18)14-4-5-15-12-10-3-2-9(13(19)20)6-11(10)16-7-17-12/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)(H,15,16,17).
What are the key properties of 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid?
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).