N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide

C24H26ClN5O2 — CID 45271068

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide
SMILESO=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C24H26ClN5O2/c25-18-6-7-19-20(8-9-27-21(19)14-18)29-12-13-30(24(32)22-15-26-10-11-28-22)16-23(31)17-4-2-1-3-5-17/h6-11,14-15,17H,1-5,12-13,16H2,(H,27,29)
InChIKeyNUBSGPQIPDAIAR-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.38
Rot. Bonds8

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide (PubChem CID 45271068) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide
PubChem CID45271068
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide
SMILESO=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C24H26ClN5O2/c25-18-6-7-19-20(8-9-27-21(19)14-18)29-12-13-30(24(32)22-15-26-10-11-28-22)16-23(31)17-4-2-1-3-5-17/h6-11,14-15,17H,1-5,12-13,16H2,(H,27,29)
InChIKeyNUBSGPQIPDAIAR-UHFFFAOYSA-N
XLogP4.38
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide (CID 45271068) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide is O=C(CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1)C1CCCCC1.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide?
The InChIKey is NUBSGPQIPDAIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-18-6-7-19-20(8-9-27-21(19)14-18)29-12-13-30(24(32)22-15-26-10-11-28-22)16-23(31)17-4-2-1-3-5-17/h6-11,14-15,17H,1-5,12-13,16H2,(H,27,29).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.38, 8 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-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 45271068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).