4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide

C22H16F2N4O — CID 53020420

IUPAC4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C22H16F2N4O/c23-15-9-11-16(12-10-15)26-20-17-6-2-4-8-19(17)27-21(28-20)22(29)25-13-14-5-1-3-7-18(14)24/h1-12H,13H2,(H,25,29)(H,26,27,28)
InChIKeyZYFCLQUXPSXNDC-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.58
Rot. Bonds5

About 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide

4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide (PubChem CID 53020420) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
PubChem CID53020420
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1nc(Nc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C22H16F2N4O/c23-15-9-11-16(12-10-15)26-20-17-6-2-4-8-19(17)27-21(28-20)22(29)25-13-14-5-1-3-7-18(14)24/h1-12H,13H2,(H,25,29)(H,26,27,28)
InChIKeyZYFCLQUXPSXNDC-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020396
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
CID 53020403
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 5142315
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
4-(4-chloroanilino)-N-(3-chlorophenyl)quinazoline-2-carboxamide
CID 20966031
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966082

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide (CID 53020420) is 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide is O=C(NCc1ccccc1F)c1nc(Nc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The InChIKey is ZYFCLQUXPSXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-15-9-11-16(12-10-15)26-20-17-6-2-4-8-19(17)27-21(28-20)22(29)25-13-14-5-1-3-7-18(14)24/h1-12H,13H2,(H,25,29)(H,26,27,28).
What are the key properties of 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide is sourced from PubChem (CID 53020420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).