1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone

C24H20ClNO — CID 2882119

IUPAC1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2C2C=CCC2C1c1cccc2ccccc12
InChIInChI=1S/C24H20ClNO/c1-15(27)26-23-13-12-17(25)14-22(23)19-9-5-11-21(19)24(26)20-10-4-7-16-6-2-3-8-18(16)20/h2-10,12-14,19,21,24H,11H2,1H3
InChIKeyMGIXZCJBXIHKQQ-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.26
Rot. Bonds1

About 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone

1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone (PubChem CID 2882119) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone
PubChem CID2882119
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone
SMILESCC(=O)N1c2ccc(Cl)cc2C2C=CCC2C1c1cccc2ccccc12
InChIInChI=1S/C24H20ClNO/c1-15(27)26-23-13-12-17(25)14-22(23)19-9-5-11-21(19)24(26)20-10-4-7-16-6-2-3-8-18(16)20/h2-10,12-14,19,21,24H,11H2,1H3
InChIKeyMGIXZCJBXIHKQQ-UHFFFAOYSA-N
XLogP6.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone?
The IUPAC name of 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone (CID 2882119) is 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone.
What is the SMILES notation for 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone?
The canonical SMILES for 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone is CC(=O)N1c2ccc(Cl)cc2C2C=CCC2C1c1cccc2ccccc12.
What is the InChIKey of 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone?
The InChIKey is MGIXZCJBXIHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c1-15(27)26-23-13-12-17(25)14-22(23)19-9-5-11-21(19)24(26)20-10-4-7-16-6-2-3-8-18(16)20/h2-10,12-14,19,21,24H,11H2,1H3.
What are the key properties of 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone?
1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone has a molecular weight of 373.88 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-4-naphthalen-1-yl-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl)ethanone is sourced from PubChem (CID 2882119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).