4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide

C26H22ClN3O2 — CID 141358138

IUPAC4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3cc2N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O2/c27-21-10-8-18(9-11-21)26(31)28-22-6-3-5-20(16-22)25-24(30-12-14-32-15-13-30)17-19-4-1-2-7-23(19)29-25/h1-11,16-17H,12-15H2,(H,28,31)
InChIKeyVDPJRHQYIPFVPM-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.64
Rot. Bonds4

About 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide

4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide (PubChem CID 141358138) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
PubChem CID141358138
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3cc2N2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O2/c27-21-10-8-18(9-11-21)26(31)28-22-6-3-5-20(16-22)25-24(30-12-14-32-15-13-30)17-19-4-1-2-7-23(19)29-25/h1-11,16-17H,12-15H2,(H,28,31)
InChIKeyVDPJRHQYIPFVPM-UHFFFAOYSA-N
XLogP5.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358125
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17116729
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 1253836
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide (CID 141358138) is 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ccccc3cc2N2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The InChIKey is VDPJRHQYIPFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c27-21-10-8-18(9-11-21)26(31)28-22-6-3-5-20(16-22)25-24(30-12-14-32-15-13-30)17-19-4-1-2-7-23(19)29-25/h1-11,16-17H,12-15H2,(H,28,31).
What are the key properties of 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide has a molecular weight of 443.93 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 141358138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).