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

C24H21FN4O — CID 53020396

IUPAC4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
SMILESCCc1ccc(Nc2nc(C(=O)NCc3ccccc3F)nc3ccccc23)cc1
InChIInChI=1S/C24H21FN4O/c1-2-16-11-13-18(14-12-16)27-22-19-8-4-6-10-21(19)28-23(29-22)24(30)26-15-17-7-3-5-9-20(17)25/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyUBURWAOHRAYCTC-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.00
Rot. Bonds6

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

4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide (PubChem CID 53020396) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
PubChem CID53020396
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
SMILESCCc1ccc(Nc2nc(C(=O)NCc3ccccc3F)nc3ccccc23)cc1
InChIInChI=1S/C24H21FN4O/c1-2-16-11-13-18(14-12-16)27-22-19-8-4-6-10-21(19)28-23(29-22)24(30)26-15-17-7-3-5-9-20(17)25/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyUBURWAOHRAYCTC-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoroanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide
CID 53020420
4-(4-fluoroanilino)-N-(3-methylbutyl)quinazoline-2-carboxamide
CID 53020411
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
N-butan-2-yl-4-(4-fluoroanilino)quinazoline-2-carboxamide
CID 53020403
4-anilino-N-[(2S)-butan-2-yl]quinazoline-2-carboxamide
CID 93059176
2-ethyl-N-[(2-fluorophenyl)methyl]-4-methylquinoline-3-carboxamide
CID 9192896
4-(4-chloroanilino)-N-(4-fluorophenyl)quinazoline-2-carboxamide
CID 20966030
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966082
4-(3-methylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]quinazoline-2-carboxamide
CID 20966085
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308320
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The IUPAC name of 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide (CID 53020396) is 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The canonical SMILES for 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide is CCc1ccc(Nc2nc(C(=O)NCc3ccccc3F)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
The InChIKey is UBURWAOHRAYCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-2-16-11-13-18(14-12-16)27-22-19-8-4-6-10-21(19)28-23(29-22)24(30)26-15-17-7-3-5-9-20(17)25/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide?
4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]quinazoline-2-carboxamide is sourced from PubChem (CID 53020396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).