N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide

C20H22N6O — CID 24733443

IUPACN-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc3cccc(-c4cncnc4)c3n2)CC1
InChIInChI=1S/C20H22N6O/c1-2-23-20(27)26-10-8-25(9-11-26)18-7-6-15-4-3-5-17(19(15)24-18)16-12-21-14-22-13-16/h3-7,12-14H,2,8-11H2,1H3,(H,23,27)
InChIKeyLUCGHFHABWPGTR-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.54
Rot. Bonds3

About N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide

N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide (PubChem CID 24733443) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide
PubChem CID24733443
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc3cccc(-c4cncnc4)c3n2)CC1
InChIInChI=1S/C20H22N6O/c1-2-23-20(27)26-10-8-25(9-11-26)18-7-6-15-4-3-5-17(19(15)24-18)16-12-21-14-22-13-16/h3-7,12-14H,2,8-11H2,1H3,(H,23,27)
InChIKeyLUCGHFHABWPGTR-UHFFFAOYSA-N
XLogP2.54
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide (CID 24733443) is N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc3cccc(-c4cncnc4)c3n2)CC1.
What is the InChIKey of N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide?
The InChIKey is LUCGHFHABWPGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-2-23-20(27)26-10-8-25(9-11-26)18-7-6-15-4-3-5-17(19(15)24-18)16-12-21-14-22-13-16/h3-7,12-14H,2,8-11H2,1H3,(H,23,27).
What are the key properties of N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide?
N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 24733443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).