6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide

C22H21ClN2O2 — CID 43888733

IUPAC6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C22H21ClN2O2/c1-2-25-13-18(21(26)17-12-15(23)10-11-20(17)25)22(27)24-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,2,5,7,9H2,1H3,(H,24,27)
InChIKeyJSMVNYYLOULGTK-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.48
Rot. Bonds3

About 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide

6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide (PubChem CID 43888733) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
PubChem CID43888733
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C22H21ClN2O2/c1-2-25-13-18(21(26)17-12-15(23)10-11-20(17)25)22(27)24-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,2,5,7,9H2,1H3,(H,24,27)
InChIKeyJSMVNYYLOULGTK-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766
1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
CID 141078293
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-chloro-N-cyclobutyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 75517462
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide (CID 43888733) is 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide is CCn1cc(C(=O)NC2CCCc3ccccc32)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide?
The InChIKey is JSMVNYYLOULGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-2-25-13-18(21(26)17-12-15(23)10-11-20(17)25)22(27)24-19-9-5-7-14-6-3-4-8-16(14)19/h3-4,6,8,10-13,19H,2,5,7,9H2,1H3,(H,24,27).
What are the key properties of 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide?
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 43888733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).