N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H19FN4O3 — CID 135870951

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19FN4O3/c1-25(12-18(26)22-14-6-4-5-13(21)11-14)19(27)10-9-17-23-16-8-3-2-7-15(16)20(28)24-17/h2-8,11H,9-10,12H2,1H3,(H,22,26)(H,23,24,28)
InChIKeyVCAUJOXFNAHTBT-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135870951) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135870951
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H19FN4O3/c1-25(12-18(26)22-14-6-4-5-13(21)11-14)19(27)10-9-17-23-16-8-3-2-7-15(16)20(28)24-17/h2-8,11H,9-10,12H2,1H3,(H,22,26)(H,23,24,28)
InChIKeyVCAUJOXFNAHTBT-UHFFFAOYSA-N
XLogP2.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
Afloqualone
CID 2040
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Azd-6703
CID 11373432
Avadomide
CID 24967599
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilide
CID 24650
Arborine
CID 63123
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135870951) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is VCAUJOXFNAHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-25(12-18(26)22-14-6-4-5-13(21)11-14)19(27)10-9-17-23-16-8-3-2-7-15(16)20(28)24-17/h2-8,11H,9-10,12H2,1H3,(H,22,26)(H,23,24,28).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 382.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135870951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).