methyl 5-bromoquinazoline-7-carboxylate

C10H7BrN2O2 — CID 171373776

IUPACmethyl 5-bromoquinazoline-7-carboxylate
SMILESCOC(=O)c1cc(Br)c2cncnc2c1
InChIInChI=1S/C10H7BrN2O2/c1-15-10(14)6-2-8(11)7-4-12-5-13-9(7)3-6/h2-5H,1H3
InChIKeyDMHUAQPGOPAQHC-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.18
Rot. Bonds1

About methyl 5-bromoquinazoline-7-carboxylate

methyl 5-bromoquinazoline-7-carboxylate (PubChem CID 171373776) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is methyl 5-bromoquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromoquinazoline-7-carboxylate
PubChem CID171373776
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Namemethyl 5-bromoquinazoline-7-carboxylate
SMILESCOC(=O)c1cc(Br)c2cncnc2c1
InChIInChI=1S/C10H7BrN2O2/c1-15-10(14)6-2-8(11)7-4-12-5-13-9(7)3-6/h2-5H,1H3
InChIKeyDMHUAQPGOPAQHC-UHFFFAOYSA-N
XLogP2.18
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromoquinazoline-7-carboxylate 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 methyl 5-bromoquinazoline-7-carboxylate?
The IUPAC name of methyl 5-bromoquinazoline-7-carboxylate (CID 171373776) is methyl 5-bromoquinazoline-7-carboxylate.
What is the SMILES notation for methyl 5-bromoquinazoline-7-carboxylate?
The canonical SMILES for methyl 5-bromoquinazoline-7-carboxylate is COC(=O)c1cc(Br)c2cncnc2c1.
What is the InChIKey of methyl 5-bromoquinazoline-7-carboxylate?
The InChIKey is DMHUAQPGOPAQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c1-15-10(14)6-2-8(11)7-4-12-5-13-9(7)3-6/h2-5H,1H3.
What are the key properties of methyl 5-bromoquinazoline-7-carboxylate?
methyl 5-bromoquinazoline-7-carboxylate has a molecular weight of 267.08 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromoquinazoline-7-carboxylate is sourced from PubChem (CID 171373776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).