N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H24N2O3 — CID 71935591

IUPACN-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)C(C)N(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1
InChIInChI=1S/C18H24N2O3/c1-10(2)11(3)20(12-7-8-12)18(23)14-9-13-15(19-17(14)22)5-4-6-16(13)21/h9-12H,4-8H2,1-3H3,(H,19,22)
InChIKeyTUHPBORTSDTKST-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.54
Rot. Bonds4

About N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 71935591) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID71935591
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)C(C)N(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1
InChIInChI=1S/C18H24N2O3/c1-10(2)11(3)20(12-7-8-12)18(23)14-9-13-15(19-17(14)22)5-4-6-16(13)21/h9-12H,4-8H2,1-3H3,(H,19,22)
InChIKeyTUHPBORTSDTKST-UHFFFAOYSA-N
XLogP2.54
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 71935591) is N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)C(C)N(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is TUHPBORTSDTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10(2)11(3)20(12-7-8-12)18(23)14-9-13-15(19-17(14)22)5-4-6-16(13)21/h9-12H,4-8H2,1-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 71935591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).