N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H22N2O3 — CID 71935578

IUPACN-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H22N2O3/c1-19(10-11-5-2-3-6-11)17(22)13-9-12-14(18-16(13)21)7-4-8-15(12)20/h9,11H,2-8,10H2,1H3,(H,18,21)
InChIKeySERGOBUMIUXRQJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.16
Rot. Bonds3

About N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 71935578) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID71935578
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C17H22N2O3/c1-19(10-11-5-2-3-6-11)17(22)13-9-12-14(18-16(13)21)7-4-8-15(12)20/h9,11H,2-8,10H2,1H3,(H,18,21)
InChIKeySERGOBUMIUXRQJ-UHFFFAOYSA-N
XLogP2.16
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 71935578) is N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CN(CC1CCCC1)C(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is SERGOBUMIUXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(10-11-5-2-3-6-11)17(22)13-9-12-14(18-16(13)21)7-4-8-15(12)20/h9,11H,2-8,10H2,1H3,(H,18,21).
What are the key properties of N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 71935578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).