2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone

C15H16ClN3O2 — CID 116783960

IUPAC2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-5-17-15)18-10-14(20)19-6-8-21-9-7-19/h1-5,18H,6-10H2
InChIKeyZWGGNPSNLNKBKA-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.16
Rot. Bonds3

About 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone

2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 116783960) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
PubChem CID116783960
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-5-17-15)18-10-14(20)19-6-8-21-9-7-19/h1-5,18H,6-10H2
InChIKeyZWGGNPSNLNKBKA-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570856
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116784204
5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
CID 104608662
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone (CID 116783960) is 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone is O=C(CNc1ccc(Cl)c2cccnc12)N1CCOCC1.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is ZWGGNPSNLNKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-5-17-15)18-10-14(20)19-6-8-21-9-7-19/h1-5,18H,6-10H2.
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 305.76 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 116783960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).