tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate

C22H23N3O4 — CID 55654804

IUPACtert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H23N3O4/c1-22(2,3)29-21(27)25-18-13-15(10-12-19(18)28-4)23-20(26)17-11-9-14-7-5-6-8-16(14)24-17/h5-13H,1-4H3,(H,23,26)(H,25,27)
InChIKeyYBBPTJQWLXGUIH-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.84
Rot. Bonds4

About tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate

tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate (PubChem CID 55654804) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
PubChem CID55654804
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nametert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H23N3O4/c1-22(2,3)29-21(27)25-18-13-15(10-12-19(18)28-4)23-20(26)17-11-9-14-7-5-6-8-16(14)24-17/h5-13H,1-4H3,(H,23,26)(H,25,27)
InChIKeyYBBPTJQWLXGUIH-UHFFFAOYSA-N
XLogP4.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
CID 3265897
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
tert-butyl N-[5-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654801
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
methyl 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoate
CID 103711004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate (CID 55654804) is tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate is COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate?
The InChIKey is YBBPTJQWLXGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-22(2,3)29-21(27)25-18-13-15(10-12-19(18)28-4)23-20(26)17-11-9-14-7-5-6-8-16(14)24-17/h5-13H,1-4H3,(H,23,26)(H,25,27).
What are the key properties of tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate?
tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate has a molecular weight of 393.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate is sourced from PubChem (CID 55654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).