4-(methylamino)quinazoline-8-carboxylic acid

C10H9N3O2 — CID 71208033

IUPAC4-(methylamino)quinazoline-8-carboxylic acid
SMILESCNc1ncnc2c(C(=O)O)cccc12
InChIInChI=1S/C10H9N3O2/c1-11-9-6-3-2-4-7(10(14)15)8(6)12-5-13-9/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyZDPRPNHBFJCMOF-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.37
Rot. Bonds2

About 4-(methylamino)quinazoline-8-carboxylic acid

4-(methylamino)quinazoline-8-carboxylic acid (PubChem CID 71208033) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(methylamino)quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)quinazoline-8-carboxylic acid
PubChem CID71208033
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(methylamino)quinazoline-8-carboxylic acid
SMILESCNc1ncnc2c(C(=O)O)cccc12
InChIInChI=1S/C10H9N3O2/c1-11-9-6-3-2-4-7(10(14)15)8(6)12-5-13-9/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChIKeyZDPRPNHBFJCMOF-UHFFFAOYSA-N
XLogP1.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)quinazoline-8-carboxylic acid?
The IUPAC name of 4-(methylamino)quinazoline-8-carboxylic acid (CID 71208033) is 4-(methylamino)quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-(methylamino)quinazoline-8-carboxylic acid?
The canonical SMILES for 4-(methylamino)quinazoline-8-carboxylic acid is CNc1ncnc2c(C(=O)O)cccc12.
What is the InChIKey of 4-(methylamino)quinazoline-8-carboxylic acid?
The InChIKey is ZDPRPNHBFJCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-11-9-6-3-2-4-7(10(14)15)8(6)12-5-13-9/h2-5H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-(methylamino)quinazoline-8-carboxylic acid?
4-(methylamino)quinazoline-8-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)quinazoline-8-carboxylic acid is sourced from PubChem (CID 71208033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).