[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone

C24H25ClN4O3 — CID 53328460

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone
SMILESNc1nc2ccc(-c3c(Cl)cccc3C(=O)N3CCOCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25ClN4O3/c25-19-3-1-2-18(24(30)29-8-12-32-13-9-29)22(19)16-4-5-20-17(14-16)15-21(23(26)27-20)28-6-10-31-11-7-28/h1-5,14-15H,6-13H2,(H2,26,27)
InChIKeyGIHLVLRTWAPWFU-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.45
Rot. Bonds3

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone (PubChem CID 53328460) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone
PubChem CID53328460
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone
SMILESNc1nc2ccc(-c3c(Cl)cccc3C(=O)N3CCOCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25ClN4O3/c25-19-3-1-2-18(24(30)29-8-12-32-13-9-29)22(19)16-4-5-20-17(14-16)15-21(23(26)27-20)28-6-10-31-11-7-28/h1-5,14-15H,6-13H2,(H2,26,27)
InChIKeyGIHLVLRTWAPWFU-UHFFFAOYSA-N
XLogP3.45
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone (CID 53328460) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone is Nc1nc2ccc(-c3c(Cl)cccc3C(=O)N3CCOCC3)cc2cc1N1CCOCC1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone?
The InChIKey is GIHLVLRTWAPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c25-19-3-1-2-18(24(30)29-8-12-32-13-9-29)22(19)16-4-5-20-17(14-16)15-21(23(26)27-20)28-6-10-31-11-7-28/h1-5,14-15H,6-13H2,(H2,26,27).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 452.94 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53328460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).