methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate

C26H20ClN3O5 — CID 71208759

IUPACmethyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2ccc(C(N)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C26H20ClN3O5/c1-35-26(34)22-20(14-29-25(33)16-9-7-15(8-10-16)24(28)32)23(31)19-12-11-17(27)13-21(19)30(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,28,32)(H,29,33)
InChIKeyWEWXSPIMUVXRGA-UHFFFAOYSA-N
MW489.92 g/mol
LogP3.46
Rot. Bonds6

About methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate

methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate (PubChem CID 71208759) has the molecular formula C26H20ClN3O5 and a molecular weight of 489.92 g/mol. Its IUPAC name is methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
PubChem CID71208759
Molecular FormulaC26H20ClN3O5
Molecular Weight489.92 g/mol
Exact Mass489.11
IUPAC Namemethyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2ccc(C(N)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C26H20ClN3O5/c1-35-26(34)22-20(14-29-25(33)16-9-7-15(8-10-16)24(28)32)23(31)19-12-11-17(27)13-21(19)30(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,28,32)(H,29,33)
InChIKeyWEWXSPIMUVXRGA-UHFFFAOYSA-N
XLogP3.46
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate with MolForge

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Related Compounds

CID 25104303
CID 25104303
CID 59846155
CID 59846155
CID 59846267
CID 59846267
CID 59846277
CID 59846277
CID 71208127
CID 71208127
CID 71208193
CID 71208193
CID 71208262
CID 71208262
CID 71208267
CID 71208267
CID 71208274
CID 71208274
CID 71208279
CID 71208279
CID 71208333
CID 71208333
CID 71208334
CID 71208334

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate?
The IUPAC name of methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate (CID 71208759) is methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate.
What is the SMILES notation for methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate?
The canonical SMILES for methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate is COC(=O)c1c(CNC(=O)c2ccc(C(N)=O)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate?
The InChIKey is WEWXSPIMUVXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O5/c1-35-26(34)22-20(14-29-25(33)16-9-7-15(8-10-16)24(28)32)23(31)19-12-11-17(27)13-21(19)30(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate?
methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate has a molecular weight of 489.92 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-carbamoylbenzoyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate is sourced from PubChem (CID 71208759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).