4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide

C16H12F2N4O — CID 66763159

IUPAC4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12
InChIInChI=1S/C16H12F2N4O/c17-10-5-4-9(13(18)6-10)7-20-16-12-3-1-2-11(15(19)23)14(12)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
InChIKeyWWPXOBSLFBHGEZ-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.62
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide

4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide (PubChem CID 66763159) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide
PubChem CID66763159
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12
InChIInChI=1S/C16H12F2N4O/c17-10-5-4-9(13(18)6-10)7-20-16-12-3-1-2-11(15(19)23)14(12)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
InChIKeyWWPXOBSLFBHGEZ-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

M-2698
CID 89808643
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
N-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16086091
4-((S)-2-Amino-1-phenyl-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869309
4-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869910
4-[[1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 66762174
4-[(3,5-Difluorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763104
4-[[(1S)-2-(azetidin-1-yl)-1-(3,4-difluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67819604
4-[[(1S)-2-(azetidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 67819612
N-(4-((4-(dimethylamino)quinazolin-2-yl)amino)cyclohexyl)-3,4-difluorobenzamide
CID 9934033
2-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide (CID 66763159) is 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12.
What is the InChIKey of 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The InChIKey is WWPXOBSLFBHGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-10-5-4-9(13(18)6-10)7-20-16-12-3-1-2-11(15(19)23)14(12)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide?
4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).