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

C21H24ClN5O2 — CID 67247684

IUPAC[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C21H24ClN5O2/c1-13-18(14(2)29-25-13)21(28)27-10-8-26(9-11-27)20-15(5-6-23)12-17(22)16-4-3-7-24-19(16)20/h3-4,7,12H,5-6,8-11,23H2,1-2H3
InChIKeyNSQNKKJWYUMXIL-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.96
Rot. Bonds4

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

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 67247684) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID67247684
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C21H24ClN5O2/c1-13-18(14(2)29-25-13)21(28)27-10-8-26(9-11-27)20-15(5-6-23)12-17(22)16-4-3-7-24-19(16)20/h3-4,7,12H,5-6,8-11,23H2,1-2H3
InChIKeyNSQNKKJWYUMXIL-UHFFFAOYSA-N
XLogP2.96
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 67247481
[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
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
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
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342013
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337262
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110646748

Frequently Asked Questions

What is the IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 67247684) is [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCN(c2c(CCN)cc(Cl)c3cccnc23)CC1.
What is the InChIKey of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is NSQNKKJWYUMXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-13-18(14(2)29-25-13)21(28)27-10-8-26(9-11-27)20-15(5-6-23)12-17(22)16-4-3-7-24-19(16)20/h3-4,7,12H,5-6,8-11,23H2,1-2H3.
What are the key properties of [4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 413.91 g/mol, XLogP of 2.96, 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]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 67247684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).