2-(quinazolin-4-ylamino)hexanoic acid

C14H17N3O2 — CID 2792414

IUPAC2-(quinazolin-4-ylamino)hexanoic acid
SMILESCCCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-2-3-7-12(14(18)19)17-13-10-6-4-5-8-11(10)15-9-16-13/h4-6,8-9,12H,2-3,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyGRSZPSULRZQMOD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.69
Rot. Bonds6

About 2-(quinazolin-4-ylamino)hexanoic acid

2-(quinazolin-4-ylamino)hexanoic acid (PubChem CID 2792414) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(quinazolin-4-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(quinazolin-4-ylamino)hexanoic acid
PubChem CID2792414
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(quinazolin-4-ylamino)hexanoic acid
SMILESCCCCC(Nc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-2-3-7-12(14(18)19)17-13-10-6-4-5-8-11(10)15-9-16-13/h4-6,8-9,12H,2-3,7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyGRSZPSULRZQMOD-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(quinazolin-4-ylamino)hexanoic acid?
The IUPAC name of 2-(quinazolin-4-ylamino)hexanoic acid (CID 2792414) is 2-(quinazolin-4-ylamino)hexanoic acid.
What is the SMILES notation for 2-(quinazolin-4-ylamino)hexanoic acid?
The canonical SMILES for 2-(quinazolin-4-ylamino)hexanoic acid is CCCCC(Nc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-(quinazolin-4-ylamino)hexanoic acid?
The InChIKey is GRSZPSULRZQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-7-12(14(18)19)17-13-10-6-4-5-8-11(10)15-9-16-13/h4-6,8-9,12H,2-3,7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(quinazolin-4-ylamino)hexanoic acid?
2-(quinazolin-4-ylamino)hexanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinazolin-4-ylamino)hexanoic acid is sourced from PubChem (CID 2792414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).