N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide

C23H23BrFN3O2 — CID 55632337

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C23H23BrFN3O2/c1-2-27(14-15-13-16(24)7-10-19(15)25)22(29)12-11-21-26-20-6-4-3-5-18(20)23(30)28(21)17-8-9-17/h3-7,10,13,17H,2,8-9,11-12,14H2,1H3
InChIKeyABOZJCWUJQFTNG-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.61
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide (PubChem CID 55632337) has the molecular formula C23H23BrFN3O2 and a molecular weight of 472.36 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
PubChem CID55632337
Molecular FormulaC23H23BrFN3O2
Molecular Weight472.36 g/mol
Exact Mass471.10
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C23H23BrFN3O2/c1-2-27(14-15-13-16(24)7-10-19(15)25)22(29)12-11-21-26-20-6-4-3-5-18(20)23(30)28(21)17-8-9-17/h3-7,10,13,17H,2,8-9,11-12,14H2,1H3
InChIKeyABOZJCWUJQFTNG-UHFFFAOYSA-N
XLogP4.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide (CID 55632337) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide is CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide?
The InChIKey is ABOZJCWUJQFTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFN3O2/c1-2-27(14-15-13-16(24)7-10-19(15)25)22(29)12-11-21-26-20-6-4-3-5-18(20)23(30)28(21)17-8-9-17/h3-7,10,13,17H,2,8-9,11-12,14H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide has a molecular weight of 472.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 55632337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).