5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide

C21H21FN4O2 — CID 136524349

IUPAC5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCc1nc(CNC(=O)c2cc(F)ccc2N2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H21FN4O2/c1-14-16-4-2-3-5-18(16)25-20(24-14)13-23-21(27)17-12-15(22)6-7-19(17)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyDCLTZUNKOURGSB-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.84
Rot. Bonds4

About 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide

5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 136524349) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID136524349
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCc1nc(CNC(=O)c2cc(F)ccc2N2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H21FN4O2/c1-14-16-4-2-3-5-18(16)25-20(24-14)13-23-21(27)17-12-15(22)6-7-19(17)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)
InChIKeyDCLTZUNKOURGSB-UHFFFAOYSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
CID 122255172
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951
1-ethyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 75404860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide (CID 136524349) is 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide is Cc1nc(CNC(=O)c2cc(F)ccc2N2CCOCC2)nc2ccccc12.
What is the InChIKey of 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is DCLTZUNKOURGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-16-4-2-3-5-18(16)25-20(24-14)13-23-21(27)17-12-15(22)6-7-19(17)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27).
What are the key properties of 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 136524349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).