N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide

C27H34N2O5 — CID 142969996

IUPACN-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
SMILESCCCC(COc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12)OCc1ccccc1
InChIInChI=1S/C27H34N2O5/c1-6-10-20(33-16-18-11-8-7-9-12-18)17-34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyWFYYAYIRYMGQAB-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.83
Rot. Bonds10

About N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide

N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide (PubChem CID 142969996) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
PubChem CID142969996
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC NameN-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
SMILESCCCC(COc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12)OCc1ccccc1
InChIInChI=1S/C27H34N2O5/c1-6-10-20(33-16-18-11-8-7-9-12-18)17-34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyWFYYAYIRYMGQAB-UHFFFAOYSA-N
XLogP4.83
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
CID 142970066
N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
CID 142970025
N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
CID 142970370
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240
N-tert-butyl-8-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 142970056
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
N-[2-(4-aminophenyl)ethyl]-8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 70685024
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
(1-bromo-3-phenylmethoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174593936

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide (CID 142969996) is N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide is CCCC(COc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12)OCc1ccccc1.
What is the InChIKey of N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide?
The InChIKey is WFYYAYIRYMGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-6-10-20(33-16-18-11-8-7-9-12-18)17-34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide?
N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142969996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).