methyl 4-(7-bromoquinoline-8-carbonyl)benzoate

C18H12BrNO3 — CID 175153769

IUPACmethyl 4-(7-bromoquinoline-8-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2c(Br)ccc3cccnc23)cc1
InChIInChI=1S/C18H12BrNO3/c1-23-18(22)13-6-4-12(5-7-13)17(21)15-14(19)9-8-11-3-2-10-20-16(11)15/h2-10H,1H3
InChIKeyKSHRJBMTZYNXAF-UHFFFAOYSA-N
MW370.20 g/mol
LogP4.01
Rot. Bonds3

About methyl 4-(7-bromoquinoline-8-carbonyl)benzoate

methyl 4-(7-bromoquinoline-8-carbonyl)benzoate (PubChem CID 175153769) has the molecular formula C18H12BrNO3 and a molecular weight of 370.20 g/mol. Its IUPAC name is methyl 4-(7-bromoquinoline-8-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-bromoquinoline-8-carbonyl)benzoate
PubChem CID175153769
Molecular FormulaC18H12BrNO3
Molecular Weight370.20 g/mol
Exact Mass369.00
IUPAC Namemethyl 4-(7-bromoquinoline-8-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2c(Br)ccc3cccnc23)cc1
InChIInChI=1S/C18H12BrNO3/c1-23-18(22)13-6-4-12(5-7-13)17(21)15-14(19)9-8-11-3-2-10-20-16(11)15/h2-10H,1H3
InChIKeyKSHRJBMTZYNXAF-UHFFFAOYSA-N
XLogP4.01
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(7-bromoquinoline-8-carbonyl)benzoate 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

methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
CID 164511154
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
7-methoxyquinoline-8-carboxylic acid
CID 68774583
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
methyl 3-quinolin-8-ylbenzoate
CID 4189037
dimethyl 3-(4-methoxybenzoyl)pyrrolo[1,2-i][1,7]phenanthroline-1,2-dicarboxylate
CID 102503087
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
CID 134944004

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-bromoquinoline-8-carbonyl)benzoate?
The IUPAC name of methyl 4-(7-bromoquinoline-8-carbonyl)benzoate (CID 175153769) is methyl 4-(7-bromoquinoline-8-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(7-bromoquinoline-8-carbonyl)benzoate?
The canonical SMILES for methyl 4-(7-bromoquinoline-8-carbonyl)benzoate is COC(=O)c1ccc(C(=O)c2c(Br)ccc3cccnc23)cc1.
What is the InChIKey of methyl 4-(7-bromoquinoline-8-carbonyl)benzoate?
The InChIKey is KSHRJBMTZYNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO3/c1-23-18(22)13-6-4-12(5-7-13)17(21)15-14(19)9-8-11-3-2-10-20-16(11)15/h2-10H,1H3.
What are the key properties of methyl 4-(7-bromoquinoline-8-carbonyl)benzoate?
methyl 4-(7-bromoquinoline-8-carbonyl)benzoate has a molecular weight of 370.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-bromoquinoline-8-carbonyl)benzoate is sourced from PubChem (CID 175153769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).