methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate

C19H16N2O3 — CID 164511154

IUPACmethyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c(C)ccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O3/c1-12-5-6-13-4-3-11-20-17(13)16(12)21-18(22)14-7-9-15(10-8-14)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyLINADMAZEBFMOV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.58
Rot. Bonds3

About methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate

methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate (PubChem CID 164511154) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
PubChem CID164511154
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c(C)ccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O3/c1-12-5-6-13-4-3-11-20-17(13)16(12)21-18(22)14-7-9-15(10-8-14)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyLINADMAZEBFMOV-UHFFFAOYSA-N
XLogP3.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methylquinolin-8-yl)-4-methylsulfonylbenzamide
CID 164511155
methyl 4-(7-bromoquinoline-8-carbonyl)benzoate
CID 175153769
methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
CID 56824300
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
methyl 3-methyl-4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 134039289
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate (CID 164511154) is methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2c(C)ccc3cccnc23)cc1.
What is the InChIKey of methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate?
The InChIKey is LINADMAZEBFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-5-6-13-4-3-11-20-17(13)16(12)21-18(22)14-7-9-15(10-8-14)19(23)24-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate?
methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate has a molecular weight of 320.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate is sourced from PubChem (CID 164511154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).