N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C15H21N3O2 — CID 43311061

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCC(=O)N(C)C)c2ccccc2N1
InChIInChI=1S/C15H21N3O2/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(20)16-9-14(19)18(2)3/h4-7,10,12,17H,8-9H2,1-3H3,(H,16,20)
InChIKeyBGPOHDUYLPDQBE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 43311061) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID43311061
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCC(=O)N(C)C)c2ccccc2N1
InChIInChI=1S/C15H21N3O2/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(20)16-9-14(19)18(2)3/h4-7,10,12,17H,8-9H2,1-3H3,(H,16,20)
InChIKeyBGPOHDUYLPDQBE-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 43311061) is N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC1CC(C(=O)NCC(=O)N(C)C)c2ccccc2N1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is BGPOHDUYLPDQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-12(11-6-4-5-7-13(11)17-10)15(20)16-9-14(19)18(2)3/h4-7,10,12,17H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 43311061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).