4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide

C24H27ClFN5O — CID 58711824

IUPAC4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)c1nc(-c2ccc(C(=O)NCCN3CCCCC3)cc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClFN5O/c1-30(2)23-19-15-17(25)7-9-21(19)28-22(29-23)18-8-6-16(14-20(18)26)24(32)27-10-13-31-11-4-3-5-12-31/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,27,32)
InChIKeyLBQYPNRZYLHZEF-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.37
Rot. Bonds6

About 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide

4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 58711824) has the molecular formula C24H27ClFN5O and a molecular weight of 455.97 g/mol. Its IUPAC name is 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID58711824
Molecular FormulaC24H27ClFN5O
Molecular Weight455.97 g/mol
Exact Mass455.19
IUPAC Name4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)c1nc(-c2ccc(C(=O)NCCN3CCCCC3)cc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClFN5O/c1-30(2)23-19-15-17(25)7-9-21(19)28-22(29-23)18-8-6-16(14-20(18)26)24(32)27-10-13-31-11-4-3-5-12-31/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,27,32)
InChIKeyLBQYPNRZYLHZEF-UHFFFAOYSA-N
XLogP4.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide (CID 58711824) is 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide is CN(C)c1nc(-c2ccc(C(=O)NCCN3CCCCC3)cc2F)nc2ccc(Cl)cc12.
What is the InChIKey of 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is LBQYPNRZYLHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O/c1-30(2)23-19-15-17(25)7-9-21(19)28-22(29-23)18-8-6-16(14-20(18)26)24(32)27-10-13-31-11-4-3-5-12-31/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,27,32).
What are the key properties of 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide?
4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 455.97 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluoro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 58711824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).