N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide

C23H24N2O5 — CID 142970370

IUPACN-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c1-23(2,3)25-22(28)16-12-15-10-11-18(29-4)20(19(15)24-21(16)27)30-13-17(26)14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyXDLPKHWIPPHOJR-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.33
Rot. Bonds6

About N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide

N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide (PubChem CID 142970370) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
PubChem CID142970370
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c1-23(2,3)25-22(28)16-12-15-10-11-18(29-4)20(19(15)24-21(16)27)30-13-17(26)14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyXDLPKHWIPPHOJR-UHFFFAOYSA-N
XLogP3.33
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
CID 142970025
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
N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
CID 142969996
N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
CID 142970066
N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11509456
7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11573063
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
N-[2-(4-aminophenyl)ethyl]-8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 70685024
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide (CID 142970370) is N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide?
The InChIKey is XDLPKHWIPPHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-23(2,3)25-22(28)16-12-15-10-11-18(29-4)20(19(15)24-21(16)27)30-13-17(26)14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide?
N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.33, 6 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-phenacyloxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142970370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).