[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate

C26H25N3O3 — CID 1282280

IUPAC[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate
SMILESCC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C26H25N3O3/c1-18-17-26(2,3)29(24(30)27-19-10-6-4-7-11-19)23-15-14-21(16-22(18)23)32-25(31)28-20-12-8-5-9-13-20/h4-17H,1-3H3,(H,27,30)(H,28,31)
InChIKeyGIRITPKDKMKXPL-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.53
Rot. Bonds3

About [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate

[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate (PubChem CID 1282280) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate
PubChem CID1282280
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate
SMILESCC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C26H25N3O3/c1-18-17-26(2,3)29(24(30)27-19-10-6-4-7-11-19)23-15-14-21(16-22(18)23)32-25(31)28-20-12-8-5-9-13-20/h4-17H,1-3H3,(H,27,30)(H,28,31)
InChIKeyGIRITPKDKMKXPL-UHFFFAOYSA-N
XLogP6.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide
CID 884545
(1-benzoyl-2,2,4-trimethylquinolin-6-yl) benzoate
CID 1106529
(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
CID 7299544
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
(E)-3-(4-methoxyphenyl)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
CID 1106522
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 698299
[(8bR)-3-benzyl-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10024747
[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10245631
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
CID 24839460

Frequently Asked Questions

What is the IUPAC name of [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate?
The IUPAC name of [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate (CID 1282280) is [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate.
What is the SMILES notation for [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate?
The canonical SMILES for [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate is CC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc21.
What is the InChIKey of [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate?
The InChIKey is GIRITPKDKMKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-17-26(2,3)29(24(30)27-19-10-6-4-7-11-19)23-15-14-21(16-22(18)23)32-25(31)28-20-12-8-5-9-13-20/h4-17H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate?
[2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate has a molecular weight of 427.50 g/mol, XLogP of 6.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,4-trimethyl-1-(phenylcarbamoyl)quinolin-6-yl] N-phenylcarbamate is sourced from PubChem (CID 1282280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).