N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide

C20H27N3O5 — CID 142970240

IUPACN-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)NC(C)C
InChIInChI=1S/C20H27N3O5/c1-11(2)21-15(24)10-28-17-14(27-6)8-7-12-9-13(18(25)22-16(12)17)19(26)23-20(3,4)5/h7-9,11H,10H2,1-6H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyUGEXYOAZRJFGDA-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.97
Rot. Bonds6

About N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide

N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide (PubChem CID 142970240) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
PubChem CID142970240
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)NC(C)C
InChIInChI=1S/C20H27N3O5/c1-11(2)21-15(24)10-28-17-14(27-6)8-7-12-9-13(18(25)22-16(12)17)19(26)23-20(3,4)5/h7-9,11H,10H2,1-6H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyUGEXYOAZRJFGDA-UHFFFAOYSA-N
XLogP1.97
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

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-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
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-(2-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11509456
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
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-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide (CID 142970240) is N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCC(=O)NC(C)C.
What is the InChIKey of N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide?
The InChIKey is UGEXYOAZRJFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-11(2)21-15(24)10-28-17-14(27-6)8-7-12-9-13(18(25)22-16(12)17)19(26)23-20(3,4)5/h7-9,11H,10H2,1-6H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide?
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 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-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).