N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide

C22H24ClN5O2 — CID 45271951

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1
InChIInChI=1S/C22H24ClN5O2/c1-22(2,3)20(29)14-28(21(30)19-13-24-8-9-26-19)11-10-27-17-6-7-25-18-12-15(23)4-5-16(17)18/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27)
InChIKeyRZYMAOWQPVRYPZ-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide (PubChem CID 45271951) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide
PubChem CID45271951
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1
InChIInChI=1S/C22H24ClN5O2/c1-22(2,3)20(29)14-28(21(30)19-13-24-8-9-26-19)11-10-27-17-6-7-25-18-12-15(23)4-5-16(17)18/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27)
InChIKeyRZYMAOWQPVRYPZ-UHFFFAOYSA-N
XLogP3.85
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-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-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide (CID 45271951) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide is CC(C)(C)C(=O)CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide?
The InChIKey is RZYMAOWQPVRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-22(2,3)20(29)14-28(21(30)19-13-24-8-9-26-19)11-10-27-17-6-7-25-18-12-15(23)4-5-16(17)18/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 45271951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).