4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid

C16H17N3O2 — CID 64521965

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(N(CC2CC2)C2CC2)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c20-16(21)14-17-13-4-2-1-3-12(13)15(18-14)19(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21)
InChIKeyGXMYVERNXDNUKM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds5

About 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid

4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid (PubChem CID 64521965) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid
PubChem CID64521965
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(N(CC2CC2)C2CC2)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c20-16(21)14-17-13-4-2-1-3-12(13)15(18-14)19(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21)
InChIKeyGXMYVERNXDNUKM-UHFFFAOYSA-N
XLogP2.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid (CID 64521965) is 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid is O=C(O)c1nc(N(CC2CC2)C2CC2)c2ccccc2n1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is GXMYVERNXDNUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)14-17-13-4-2-1-3-12(13)15(18-14)19(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,20,21).
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid?
4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 64521965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).