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

C20H17ClFN3O2 — CID 53001660

IUPAC[4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-16-11-13(5-6-17(16)22)24-19-14-3-1-2-4-18(14)23-12-15(19)20(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyPSSLJRSICVTLRV-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.24
Rot. Bonds3

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

[4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53001660) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53001660
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name[4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-16-11-13(5-6-17(16)22)24-19-14-3-1-2-4-18(14)23-12-15(19)20(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H,23,24)
InChIKeyPSSLJRSICVTLRV-UHFFFAOYSA-N
XLogP4.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone (CID 53001660) is [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnc2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PSSLJRSICVTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-16-11-13(5-6-17(16)22)24-19-14-3-1-2-4-18(14)23-12-15(19)20(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H,23,24).
What are the key properties of [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone?
[4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 385.83 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluoroanilino)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53001660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).