N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane

C29H40N2O5 — CID 142970066

IUPACN-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
SMILESCC.CCCC(COCc1ccccc1)Oc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C27H34N2O5.C2H6/c1-6-10-20(17-33-16-18-11-8-7-9-12-18)34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4;1-2/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31);1-2H3
InChIKeyOTNRIDQMHUMCLB-UHFFFAOYSA-N
MW496.65 g/mol
LogP5.86
Rot. Bonds10

About N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane

N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane (PubChem CID 142970066) has the molecular formula C29H40N2O5 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
PubChem CID142970066
Molecular FormulaC29H40N2O5
Molecular Weight496.65 g/mol
Exact Mass496.29
IUPAC NameN-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
SMILESCC.CCCC(COCc1ccccc1)Oc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12
InChIInChI=1S/C27H34N2O5.C2H6/c1-6-10-20(17-33-16-18-11-8-7-9-12-18)34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4;1-2/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31);1-2H3
InChIKeyOTNRIDQMHUMCLB-UHFFFAOYSA-N
XLogP5.86
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane with MolForge

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Related Compounds

N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
CID 142969996
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-8-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 142970056
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240
(2R)-2-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]-3-phenylpropanoic acid
CID 142970414
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11509456
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane?
The IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane (CID 142970066) is N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane.
What is the SMILES notation for N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane?
The canonical SMILES for N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane is CC.CCCC(COCc1ccccc1)Oc1c(OC)ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c12.
What is the InChIKey of N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane?
The InChIKey is OTNRIDQMHUMCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5.C2H6/c1-6-10-20(17-33-16-18-11-8-7-9-12-18)34-24-22(32-5)14-13-19-15-21(25(30)28-23(19)24)26(31)29-27(2,3)4;1-2/h7-9,11-15,20H,6,10,16-17H2,1-5H3,(H,28,30)(H,29,31);1-2H3.
What are the key properties of N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane?
N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane has a molecular weight of 496.65 g/mol, XLogP of 5.86, 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-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane is sourced from PubChem (CID 142970066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).