methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate

C18H18N2O3 — CID 69110343

IUPACmethyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NCCC3)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)13-6-8-15(9-7-13)20-17(21)14-5-4-12-3-2-10-19-16(12)11-14/h4-9,11,19H,2-3,10H2,1H3,(H,20,21)
InChIKeyWZTXKYYGJXVIGB-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.08
Rot. Bonds3

About methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate

methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate (PubChem CID 69110343) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
PubChem CID69110343
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NCCC3)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)13-6-8-15(9-7-13)20-17(21)14-5-4-12-3-2-10-19-16(12)11-14/h4-9,11,19H,2-3,10H2,1H3,(H,20,21)
InChIKeyWZTXKYYGJXVIGB-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 143229213
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325644
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate?
The IUPAC name of methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate (CID 69110343) is methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccc3c(c2)NCCC3)cc1.
What is the InChIKey of methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate?
The InChIKey is WZTXKYYGJXVIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)13-6-8-15(9-7-13)20-17(21)14-5-4-12-3-2-10-19-16(12)11-14/h4-9,11,19H,2-3,10H2,1H3,(H,20,21).
What are the key properties of methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate?
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate is sourced from PubChem (CID 69110343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).