N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H26N2O3 — CID 71935794

IUPACN-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-2-11-21(13-7-4-3-5-8-13)19(24)15-12-14-16(20-18(15)23)9-6-10-17(14)22/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyWNAGTODTMPAEFW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.08
Rot. Bonds4

About N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 71935794) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID71935794
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-2-11-21(13-7-4-3-5-8-13)19(24)15-12-14-16(20-18(15)23)9-6-10-17(14)22/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyWNAGTODTMPAEFW-UHFFFAOYSA-N
XLogP3.08
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 71935794) is N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is WNAGTODTMPAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-11-21(13-7-4-3-5-8-13)19(24)15-12-14-16(20-18(15)23)9-6-10-17(14)22/h12-13H,2-11H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 71935794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).