methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate

C26H24N2O3 — CID 157317010

IUPACmethyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cccc(N(C)c3ccccc3C)c2n1
InChIInChI=1S/C26H24N2O3/c1-18-10-7-8-14-22(18)28(2)23-15-9-13-20-24(31-17-19-11-5-4-6-12-19)16-21(26(29)30-3)27-25(20)23/h4-16H,17H2,1-3H3
InChIKeyQAFZBDJJDGOQFH-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.68
Rot. Bonds6

About methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate

methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate (PubChem CID 157317010) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate
PubChem CID157317010
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Namemethyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)c2cccc(N(C)c3ccccc3C)c2n1
InChIInChI=1S/C26H24N2O3/c1-18-10-7-8-14-22(18)28(2)23-15-9-13-20-24(31-17-19-11-5-4-6-12-19)16-21(26(29)30-3)27-25(20)23/h4-16H,17H2,1-3H3
InChIKeyQAFZBDJJDGOQFH-UHFFFAOYSA-N
XLogP5.68
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-8-phenylmethoxyquinoline-2-carboxylate
CID 10225596
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
methyl 5-iodo-6-methyl-8-phenylmethoxyquinoline-3-carboxylate
CID 59898852
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020

Frequently Asked Questions

What is the IUPAC name of methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate (CID 157317010) is methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2)c2cccc(N(C)c3ccccc3C)c2n1.
What is the InChIKey of methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is QAFZBDJJDGOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-10-7-8-14-22(18)28(2)23-15-9-13-20-24(31-17-19-11-5-4-6-12-19)16-21(26(29)30-3)27-25(20)23/h4-16H,17H2,1-3H3.
What are the key properties of methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate?
methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(N,2-dimethylanilino)-4-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 157317010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).