2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide

C20H18BrN3O2 — CID 2418702

IUPAC2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)19-13-17(16-3-1-2-4-18(16)22-19)20(25)23-24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,23,25)
InChIKeyMOOJGRCVNJDTDP-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide

2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 2418702) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide
PubChem CID2418702
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)19-13-17(16-3-1-2-4-18(16)22-19)20(25)23-24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,23,25)
InChIKeyMOOJGRCVNJDTDP-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide (CID 2418702) is 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide is O=C(NN1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is MOOJGRCVNJDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-15-7-5-14(6-8-15)19-13-17(16-3-1-2-4-18(16)22-19)20(25)23-24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,23,25).
What are the key properties of 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide?
2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2418702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).