6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide

C19H23ClN2O2 — CID 30132192

IUPAC6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN2O2/c1-2-22-12-16(18(23)15-11-13(20)9-10-17(15)22)19(24)21-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,21,24)
InChIKeyNDEWVDLGZOINNE-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.13
Rot. Bonds3

About 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide

6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 30132192) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID30132192
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H23ClN2O2/c1-2-22-12-16(18(23)15-11-13(20)9-10-17(15)22)19(24)21-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,21,24)
InChIKeyNDEWVDLGZOINNE-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide (CID 30132192) is 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is NDEWVDLGZOINNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-22-12-16(18(23)15-11-13(20)9-10-17(15)22)19(24)21-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,21,24).
What are the key properties of 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide?
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30132192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).