4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid

C14H17N3O3 — CID 106136485

IUPAC4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
SMILESCC(O)CCCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(17-12)14(19)20/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyUJDCVQBFMWMKDC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.90
Rot. Bonds6

About 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid

4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid (PubChem CID 106136485) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
PubChem CID106136485
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
SMILESCC(O)CCCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(17-12)14(19)20/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyUJDCVQBFMWMKDC-UHFFFAOYSA-N
XLogP1.90
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid (CID 106136485) is 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid is CC(O)CCCNc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid?
The InChIKey is UJDCVQBFMWMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(18)5-4-8-15-12-10-6-2-3-7-11(10)16-13(17-12)14(19)20/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid?
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid is sourced from PubChem (CID 106136485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).