2-(propan-2-ylamino)quinazoline-6-carboxylic acid

C12H13N3O2 — CID 165494304

IUPAC2-(propan-2-ylamino)quinazoline-6-carboxylic acid
SMILESCC(C)Nc1ncc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C12H13N3O2/c1-7(2)14-12-13-6-9-5-8(11(16)17)3-4-10(9)15-12/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyRZDNRVBLRUZSJG-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.15
Rot. Bonds3

About 2-(propan-2-ylamino)quinazoline-6-carboxylic acid

2-(propan-2-ylamino)quinazoline-6-carboxylic acid (PubChem CID 165494304) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(propan-2-ylamino)quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)quinazoline-6-carboxylic acid
PubChem CID165494304
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(propan-2-ylamino)quinazoline-6-carboxylic acid
SMILESCC(C)Nc1ncc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C12H13N3O2/c1-7(2)14-12-13-6-9-5-8(11(16)17)3-4-10(9)15-12/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyRZDNRVBLRUZSJG-UHFFFAOYSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

3-[2-(propan-2-ylamino)quinazolin-6-yl]benzoic acid
CID 67061417
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
CID 138525691
2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide
CID 144524423
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
acridino[5,6-b]quinoline-3,10-dicarboxylic acid
CID 91152992
ethane;quinoline-6-carboxylic acid
CID 91364452
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
[3-[(2S)-2-[[6-[5-(ethylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]propyl]phenyl]methylcarbamic acid
CID 69467559
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)quinazoline-6-carboxylic acid?
The IUPAC name of 2-(propan-2-ylamino)quinazoline-6-carboxylic acid (CID 165494304) is 2-(propan-2-ylamino)quinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylamino)quinazoline-6-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylamino)quinazoline-6-carboxylic acid is CC(C)Nc1ncc2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-(propan-2-ylamino)quinazoline-6-carboxylic acid?
The InChIKey is RZDNRVBLRUZSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7(2)14-12-13-6-9-5-8(11(16)17)3-4-10(9)15-12/h3-7H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(propan-2-ylamino)quinazoline-6-carboxylic acid?
2-(propan-2-ylamino)quinazoline-6-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)quinazoline-6-carboxylic acid is sourced from PubChem (CID 165494304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).