N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C15H23N3O2 — CID 51054968

IUPACN-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCN(C)C)cc2C1
InChIInChI=1S/C15H23N3O2/c1-10-4-5-13-11(8-10)9-12(15(20)17-13)14(19)16-6-7-18(2)3/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyCMHBBGWEDVJULQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51054968) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51054968
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCN(C)C)cc2C1
InChIInChI=1S/C15H23N3O2/c1-10-4-5-13-11(8-10)9-12(15(20)17-13)14(19)16-6-7-18(2)3/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyCMHBBGWEDVJULQ-UHFFFAOYSA-N
XLogP0.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51054968) is N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1CCc2[nH]c(=O)c(C(=O)NCCN(C)C)cc2C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CMHBBGWEDVJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-4-5-13-11(8-10)9-12(15(20)17-13)14(19)16-6-7-18(2)3/h9-10H,4-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51054968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).