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

C12H13N3O3 — CID 16641767

IUPAC4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
SMILESCC(O)CNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C12H13N3O3/c1-7(16)5-13-11-9-3-2-8(12(17)18)4-10(9)14-6-15-11/h2-4,6-7,16H,5H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyRFDSHFWFAUQQOI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.12
Rot. Bonds4

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

4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid (PubChem CID 16641767) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
PubChem CID16641767
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid
SMILESCC(O)CNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C12H13N3O3/c1-7(16)5-13-11-9-3-2-8(12(17)18)4-10(9)14-6-15-11/h2-4,6-7,16H,5H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyRFDSHFWFAUQQOI-UHFFFAOYSA-N
XLogP1.12
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
1-(2-hydroxypropylamino)isoquinoline-7-carboxylic acid
CID 82571138
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
CID 63263209
4-[[(E)-pent-3-enyl]amino]quinazoline-7-carboxylic acid
CID 113465719
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
4-[2-(trifluoromethylsulfanyl)ethylamino]quinazoline-7-carboxylic acid
CID 106429595
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]quinazoline-7-carboxylic acid
CID 106161960
(2R)-2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid
CID 1414229

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid (CID 16641767) is 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid is CC(O)CNc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid?
The InChIKey is RFDSHFWFAUQQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7(16)5-13-11-9-3-2-8(12(17)18)4-10(9)14-6-15-11/h2-4,6-7,16H,5H2,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid?
4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 16641767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).