[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate

C28H25N3O5 — CID 58739041

IUPAC[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
SMILESCOc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C#N)c4ccccc4)cc3C)c2cc1OC
InChIInChI=1S/C28H25N3O5/c1-17-13-24(35-23-10-11-30-22-15-26(34-4)25(33-3)14-20(22)23)18(2)12-21(17)31-28(32)36-27(16-29)19-8-6-5-7-9-19/h5-15,27H,1-4H3,(H,31,32)
InChIKeyZYGLKDXSHKRHOZ-UHFFFAOYSA-N
MW483.52 g/mol
LogP6.47
Rot. Bonds7

About [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate

[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate (PubChem CID 58739041) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate.

Molecular Properties

Compound Name[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
PubChem CID58739041
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
SMILESCOc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C#N)c4ccccc4)cc3C)c2cc1OC
InChIInChI=1S/C28H25N3O5/c1-17-13-24(35-23-10-11-30-22-15-26(34-4)25(33-3)14-20(22)23)18(2)12-21(17)31-28(32)36-27(16-29)19-8-6-5-7-9-19/h5-15,27H,1-4H3,(H,31,32)
InChIKeyZYGLKDXSHKRHOZ-UHFFFAOYSA-N
XLogP6.47
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate with MolForge

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Related Compounds

[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
CID 58739036
(1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 58739000
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 58738967
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-piperidin-2-ylethyl)thiourea
CID 87898779
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906
S-(4-chloro-2-methylphenyl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamothioate
CID 58738986
4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
CID 91595077
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074

Frequently Asked Questions

What is the IUPAC name of [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?
The IUPAC name of [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate (CID 58739041) is [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate.
What is the SMILES notation for [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?
The canonical SMILES for [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate is COc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C#N)c4ccccc4)cc3C)c2cc1OC.
What is the InChIKey of [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?
The InChIKey is ZYGLKDXSHKRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-17-13-24(35-23-10-11-30-22-15-26(34-4)25(33-3)14-20(22)23)18(2)12-21(17)31-28(32)36-27(16-29)19-8-6-5-7-9-19/h5-15,27H,1-4H3,(H,31,32).
What are the key properties of [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?
[cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate has a molecular weight of 483.52 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(phenyl)methyl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate is sourced from PubChem (CID 58739041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).