4-(propylamino)quinazoline-7-carboxylic acid

C12H13N3O2 — CID 2061674

IUPAC4-(propylamino)quinazoline-7-carboxylic acid
SMILESCCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C12H13N3O2/c1-2-5-13-11-9-4-3-8(12(16)17)6-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyUNYRLGHUOXONKG-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.15
Rot. Bonds4

About 4-(propylamino)quinazoline-7-carboxylic acid

4-(propylamino)quinazoline-7-carboxylic acid (PubChem CID 2061674) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(propylamino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(propylamino)quinazoline-7-carboxylic acid
PubChem CID2061674
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(propylamino)quinazoline-7-carboxylic acid
SMILESCCCNc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C12H13N3O2/c1-2-5-13-11-9-4-3-8(12(16)17)6-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyUNYRLGHUOXONKG-UHFFFAOYSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
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-(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-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
4-(pent-1-yn-3-ylamino)quinazoline-7-carboxylic acid
CID 106230991
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(propylamino)quinazoline-7-carboxylic acid (CID 2061674) is 4-(propylamino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(propylamino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(propylamino)quinazoline-7-carboxylic acid is CCCNc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(propylamino)quinazoline-7-carboxylic acid?
The InChIKey is UNYRLGHUOXONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-5-13-11-9-4-3-8(12(16)17)6-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-(propylamino)quinazoline-7-carboxylic acid?
4-(propylamino)quinazoline-7-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 2061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).