4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid

C15H19N3O3 — CID 107853406

IUPAC4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCCCCCCO)c2ccccc2n1
InChIInChI=1S/C15H19N3O3/c19-10-6-2-1-5-9-16-13-11-7-3-4-8-12(11)17-14(18-13)15(20)21/h3-4,7-8,19H,1-2,5-6,9-10H2,(H,20,21)(H,16,17,18)
InChIKeySDGAPBGFUFVKDF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.29
Rot. Bonds8

About 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid

4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid (PubChem CID 107853406) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
PubChem CID107853406
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(NCCCCCCO)c2ccccc2n1
InChIInChI=1S/C15H19N3O3/c19-10-6-2-1-5-9-16-13-11-7-3-4-8-12(11)17-14(18-13)15(20)21/h3-4,7-8,19H,1-2,5-6,9-10H2,(H,20,21)(H,16,17,18)
InChIKeySDGAPBGFUFVKDF-UHFFFAOYSA-N
XLogP2.29
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.29
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-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol
CID 13346996
4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
CID 62406409

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid (CID 107853406) is 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid is O=C(O)c1nc(NCCCCCCO)c2ccccc2n1.
What is the InChIKey of 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid?
The InChIKey is SDGAPBGFUFVKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-10-6-2-1-5-9-16-13-11-7-3-4-8-12(11)17-14(18-13)15(20)21/h3-4,7-8,19H,1-2,5-6,9-10H2,(H,20,21)(H,16,17,18).
What are the key properties of 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid?
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 107853406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).