[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C20H22ClN5O2 — CID 67247481

IUPAC[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3c(CCN)cc(Cl)c4cccnc34)CC2)no1
InChIInChI=1S/C20H22ClN5O2/c1-13-11-17(24-28-13)20(27)26-9-7-25(8-10-26)19-14(4-5-22)12-16(21)15-3-2-6-23-18(15)19/h2-3,6,11-12H,4-5,7-10,22H2,1H3
InChIKeyMZCMKPJGGILRHQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.65
Rot. Bonds4

About [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 67247481) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID67247481
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3c(CCN)cc(Cl)c4cccnc34)CC2)no1
InChIInChI=1S/C20H22ClN5O2/c1-13-11-17(24-28-13)20(27)26-9-7-25(8-10-26)19-14(4-5-22)12-16(21)15-3-2-6-23-18(15)19/h2-3,6,11-12H,4-5,7-10,22H2,1H3
InChIKeyMZCMKPJGGILRHQ-UHFFFAOYSA-N
XLogP2.65
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 67247684
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
CID 67247122
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
CID 173056499
1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
CID 67248520
2-[5-chloro-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-7-yl]acetaldehyde
CID 87323983
2-[5-chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanamine
CID 67247130
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7162064
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
CID 58368629

Frequently Asked Questions

What is the IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 67247481) is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3c(CCN)cc(Cl)c4cccnc34)CC2)no1.
What is the InChIKey of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MZCMKPJGGILRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-13-11-17(24-28-13)20(27)26-9-7-25(8-10-26)19-14(4-5-22)12-16(21)15-3-2-6-23-18(15)19/h2-3,6,11-12H,4-5,7-10,22H2,1H3.
What are the key properties of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 399.88 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 67247481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).