N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide

C24H19F2N5O2 — CID 141449370

IUPACN-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cccc(Nc2ncnc3cc(NC(=O)NC(=O)c4c(F)cccc4F)ccc23)c1C
InChIInChI=1S/C24H19F2N5O2/c1-13-5-3-8-19(14(13)2)30-22-16-10-9-15(11-20(16)27-12-28-22)29-24(33)31-23(32)21-17(25)6-4-7-18(21)26/h3-12H,1-2H3,(H,27,28,30)(H2,29,31,32,33)
InChIKeyFFQIVLRENPAELD-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.23
Rot. Bonds4

About N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide

N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 141449370) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide
PubChem CID141449370
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cccc(Nc2ncnc3cc(NC(=O)NC(=O)c4c(F)cccc4F)ccc23)c1C
InChIInChI=1S/C24H19F2N5O2/c1-13-5-3-8-19(14(13)2)30-22-16-10-9-15(11-20(16)27-12-28-22)29-24(33)31-23(32)21-17(25)6-4-7-18(21)26/h3-12H,1-2H3,(H,27,28,30)(H2,29,31,32,33)
InChIKeyFFQIVLRENPAELD-UHFFFAOYSA-N
XLogP5.23
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide (CID 141449370) is N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide is Cc1cccc(Nc2ncnc3cc(NC(=O)NC(=O)c4c(F)cccc4F)ccc23)c1C.
What is the InChIKey of N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is FFQIVLRENPAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-13-5-3-8-19(14(13)2)30-22-16-10-9-15(11-20(16)27-12-28-22)29-24(33)31-23(32)21-17(25)6-4-7-18(21)26/h3-12H,1-2H3,(H,27,28,30)(H2,29,31,32,33).
What are the key properties of N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 447.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dimethylanilino)quinazolin-7-yl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 141449370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).