2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide

C21H20ClN3O2 — CID 3266362

IUPAC2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C21H20ClN3O2/c1-14-12-20(25-8-10-27-11-9-25)24-19-7-6-15(13-17(14)19)23-21(26)16-4-2-3-5-18(16)22/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyBHRZEBQIJOGFDQ-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide

2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide (PubChem CID 3266362) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
PubChem CID3266362
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3Cl)cc12
InChIInChI=1S/C21H20ClN3O2/c1-14-12-20(25-8-10-27-11-9-25)24-19-7-6-15(13-17(14)19)23-21(26)16-4-2-3-5-18(16)22/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyBHRZEBQIJOGFDQ-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide (CID 3266362) is 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccccc3Cl)cc12.
What is the InChIKey of 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The InChIKey is BHRZEBQIJOGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-12-20(25-8-10-27-11-9-25)24-19-7-6-15(13-17(14)19)23-21(26)16-4-2-3-5-18(16)22/h2-7,12-13H,8-11H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide is sourced from PubChem (CID 3266362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).