propan-2-yl 2,4-dichloroquinazoline-6-carboxylate

C12H10Cl2N2O2 — CID 135395749

IUPACpropan-2-yl 2,4-dichloroquinazoline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C12H10Cl2N2O2/c1-6(2)18-11(17)7-3-4-9-8(5-7)10(13)16-12(14)15-9/h3-6H,1-2H3
InChIKeyFIYUQERHYVVIKG-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.50
Rot. Bonds2

About propan-2-yl 2,4-dichloroquinazoline-6-carboxylate

propan-2-yl 2,4-dichloroquinazoline-6-carboxylate (PubChem CID 135395749) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is propan-2-yl 2,4-dichloroquinazoline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dichloroquinazoline-6-carboxylate
PubChem CID135395749
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Namepropan-2-yl 2,4-dichloroquinazoline-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C12H10Cl2N2O2/c1-6(2)18-11(17)7-3-4-9-8(5-7)10(13)16-12(14)15-9/h3-6H,1-2H3
InChIKeyFIYUQERHYVVIKG-UHFFFAOYSA-N
XLogP3.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2,4-dichloroquinazoline-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
(2,4-dichloroquinazolin-6-yl) carbonochloridate
CID 88765606
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
CID 17016338
propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016336
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
propan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate
CID 135395328

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dichloroquinazoline-6-carboxylate?
The IUPAC name of propan-2-yl 2,4-dichloroquinazoline-6-carboxylate (CID 135395749) is propan-2-yl 2,4-dichloroquinazoline-6-carboxylate.
What is the SMILES notation for propan-2-yl 2,4-dichloroquinazoline-6-carboxylate?
The canonical SMILES for propan-2-yl 2,4-dichloroquinazoline-6-carboxylate is CC(C)OC(=O)c1ccc2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of propan-2-yl 2,4-dichloroquinazoline-6-carboxylate?
The InChIKey is FIYUQERHYVVIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-6(2)18-11(17)7-3-4-9-8(5-7)10(13)16-12(14)15-9/h3-6H,1-2H3.
What are the key properties of propan-2-yl 2,4-dichloroquinazoline-6-carboxylate?
propan-2-yl 2,4-dichloroquinazoline-6-carboxylate has a molecular weight of 285.13 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dichloroquinazoline-6-carboxylate is sourced from PubChem (CID 135395749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).