7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide

C18H20Cl2N2O2 — CID 170855414

IUPAC7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(=O)c2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H20Cl2N2O2/c19-13-9-8-12-15(23)10-14(22-17(12)16(13)20)18(24)21-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,21,24)(H,22,23)
InChIKeyPMYSJQWYJBTJOR-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.68
Rot. Bonds2

About 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide

7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 170855414) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide
PubChem CID170855414
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(=O)c2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H20Cl2N2O2/c19-13-9-8-12-15(23)10-14(22-17(12)16(13)20)18(24)21-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,21,24)(H,22,23)
InChIKeyPMYSJQWYJBTJOR-UHFFFAOYSA-N
XLogP4.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901048
N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513809
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide (CID 170855414) is 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide is O=C(NC1CCCCCCC1)c1cc(=O)c2ccc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is PMYSJQWYJBTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-13-9-8-12-15(23)10-14(22-17(12)16(13)20)18(24)21-11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,21,24)(H,22,23).
What are the key properties of 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide?
7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-cyclooctyl-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 170855414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).