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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Related Compounds

ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
CID 24733632
1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone
CID 24733547
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
(1-methylpyrrol-2-yl)-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]methanone
CID 24733554
[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 24733590
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
CID 133387176
N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
CID 24733633
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-ethyl-4-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 133367069

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).