3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide

C25H27FN4O3 — CID 55360025

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C25H27FN4O3/c1-2-29(16-23(31)27-15-17-7-9-18(26)10-8-17)24(32)14-13-22-28-21-6-4-3-5-20(21)25(33)30(22)19-11-12-19/h3-10,19H,2,11-16H2,1H3,(H,27,31)
InChIKeyHGUFDHFTYXWGTJ-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.97
Rot. Bonds9

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide (PubChem CID 55360025) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
PubChem CID55360025
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C25H27FN4O3/c1-2-29(16-23(31)27-15-17-7-9-18(26)10-8-17)24(32)14-13-22-28-21-6-4-3-5-20(21)25(33)30(22)19-11-12-19/h3-10,19H,2,11-16H2,1H3,(H,27,31)
InChIKeyHGUFDHFTYXWGTJ-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide with MolForge

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Related Compounds

methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
CID 55632337
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 55632270
2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447006
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55382643
3-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 8960643
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18113039
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 55891425

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide (CID 55360025) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
The InChIKey is HGUFDHFTYXWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-2-29(16-23(31)27-15-17-7-9-18(26)10-8-17)24(32)14-13-22-28-21-6-4-3-5-20(21)25(33)30(22)19-11-12-19/h3-10,19H,2,11-16H2,1H3,(H,27,31).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide has a molecular weight of 450.51 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 55360025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).