N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide

C18H23N5O2 — CID 118744561

IUPACN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1cnccn1)CC2
InChIInChI=1S/C18H23N5O2/c1-22(2)9-10-23-16-5-4-14(11-13(16)3-6-17(23)24)21-18(25)15-12-19-7-8-20-15/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,21,25)
InChIKeyPKUIWPSGTDLUOE-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.49
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide

N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide (PubChem CID 118744561) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
PubChem CID118744561
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1cnccn1)CC2
InChIInChI=1S/C18H23N5O2/c1-22(2)9-10-23-16-5-4-14(11-13(16)3-6-17(23)24)21-18(25)15-12-19-7-8-20-15/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,21,25)
InChIKeyPKUIWPSGTDLUOE-UHFFFAOYSA-N
XLogP0.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide (CID 118744561) is N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide is CN(C)CCn1c2c(ccc1=O)CC(NC(=O)c1cnccn1)CC2.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?
The InChIKey is PKUIWPSGTDLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)9-10-23-16-5-4-14(11-13(16)3-6-17(23)24)21-18(25)15-12-19-7-8-20-15/h3,6-8,12,14H,4-5,9-11H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide?
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).