1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid

C22H22N2O3 — CID 141078293

IUPAC1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H22N2O3/c1-2-24-13-18(22(26)27)21(25)17-12-15(10-11-20(17)24)23-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19,23H,2,5,7,9H2,1H3,(H,26,27)
InChIKeyZSJQBZBPBVOONY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.21
Rot. Bonds4

About 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid

1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid (PubChem CID 141078293) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
PubChem CID141078293
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H22N2O3/c1-2-24-13-18(22(26)27)21(25)17-12-15(10-11-20(17)24)23-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19,23H,2,5,7,9H2,1H3,(H,26,27)
InChIKeyZSJQBZBPBVOONY-UHFFFAOYSA-N
XLogP4.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888724
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888733
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
1-ethyl-6-[3-(2-hydroxyethoxy)propyl]-4-oxoquinoline-3-carboxylic acid
CID 59864149
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
CID 170984861
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
CID 107682187

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid (CID 141078293) is 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(NC3CCCc4ccccc43)ccc21.
What is the InChIKey of 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid?
The InChIKey is ZSJQBZBPBVOONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-24-13-18(22(26)27)21(25)17-12-15(10-11-20(17)24)23-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19,23H,2,5,7,9H2,1H3,(H,26,27).
What are the key properties of 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid?
1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 141078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).