[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone

C21H20ClN3O3 — CID 27371222

IUPAC[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-7-6-14(12-17(19)22)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyIESGVIDAPLOBDT-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.11
Rot. Bonds4

About [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone

[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 27371222) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID27371222
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-7-6-14(12-17(19)22)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24)
InChIKeyIESGVIDAPLOBDT-UHFFFAOYSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone (CID 27371222) is [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone is COc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IESGVIDAPLOBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-7-6-14(12-17(19)22)24-20-15-4-2-3-5-18(15)23-13-16(20)21(26)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24).
What are the key properties of [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
[4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 397.86 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyanilino)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 27371222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).